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

Systemtic Name: [2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-oxo-3-[oxo-(phenethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [2-keto-3-(phenethylcarbamoyl)chromen-7-yl] ester Formula: C29H27NO6 MolecularWeight: 485.52778

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO6/c1-20-7-5-10-23(17-20)34-16-6-11-27(31)35-24-13-12-22-18-25(29(33)36-26(22)19-24)28(32)30-15-14-21-8-3-2-4-9-21/h2-5,7-10,12-13,17-19H,6,11,14-16H2,1H3,(H,30,32)