[2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 4-(3-methylphenoxy)butanoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H25NO6/c1-19-7-5-10-22(15-19)33-14-6-11-26(30)34-23-13-12-21-16-24(28(32)35-25(21)17-23)27(31)29-18-20-8-3-2-4-9-20/h2-5,7-10,12-13,15-17H,6,11,14,18H2,1H3,(H,29,31)