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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO5/c1-19(2)18-30-27(31)25-16-22-14-15-23(17-26(22)35-29(25)33)34-28(32)24-11-7-6-10-21(24)13-12-20-8-4-3-5-9-20/h3-11,14-17,19H,12-13,18H2,1-2H3,(H,30,31)