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

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 4-(2,4-dimethylphenoxy)butanoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] 4-(2,4-dimethylphenoxy)butanoate CAS Name: 4-(2,4-dimethylphenoxy)butanoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] 4-(2,4-dimethylphenoxy)butanoate Traditional Name: 4-(2,4-dimethylphenoxy)butyric acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO6/c1-19-10-13-25(20(2)15-19)34-14-6-9-27(31)35-23-12-11-22-16-24(29(33)36-26(22)17-23)28(32)30-18-21-7-4-3-5-8-21/h3-5,7-8,10-13,15-17H,6,9,14,18H2,1-2H3,(H,30,32)