9ZX

4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one

Created: 2021-02-09
Last modified:  2021-05-19

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count1
Bond Count59
Aromatic Bond Count12
2D diagram of 9ZX

Chemical Component Summary

Name4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one
Systematic Name (OpenEye OEToolkits)4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one
FormulaC24 H27 N O4
Molecular Weight393.475
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[CH](COc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4
SMILESOpenEye OEToolkits2.0.7CC1=C(C(=O)Oc2c1ccc(c2)OCC(C)c3ccccc3)CN4CCOCC4
Canonical SMILESCACTVS3.385 C[C@H](COc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4
Canonical SMILESOpenEye OEToolkits2.0.7 CC1=C(C(=O)Oc2c1ccc(c2)OC[C@@H](C)c3ccccc3)CN4CCOCC4
InChIInChI1.03 InChI=1S/C24H27NO4/c1-17(19-6-4-3-5-7-19)16-28-20-8-9-21-18(2)22(24(26)29-23(21)14-20)15-25-10-12-27-13-11-25/h3-9,14,17H,10-13,15-16H2,1-2H3/t17-/m1/s1
InChIKeyInChI1.03 NTZXVFVJHQUFMZ-QGZVFWFLSA-N