[3-(butan-2-ylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2-phenethylbenzoate

Systemtic Name: [3-(butan-2-ylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2-phenethylbenzoate Openeye Name: [2-oxo-3-(sec-butylcarbamoyl)chromen-7-yl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [3-[(butan-2-ylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butan-2-ylcarbamoyl)-2-oxochromen-7-yl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-keto-3-(sec-butylcarbamoyl)chromen-7-yl] ester Formula: C29H27NO5 MolecularWeight: 469.52838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3CCC4=CC=CC=C4)OC1=O

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3CCC4=CC=CC=C4)OC1=O

InChI

InChI=1S/C29H27NO5/c1-3-19(2)30-27(31)25-17-22-15-16-23(18-26(22)35-29(25)33)34-28(32)24-12-8-7-11-21(24)14-13-20-9-5-4-6-10-20/h4-12,15-19H,3,13-14H2,1-2H3,(H,30,31)