[2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-tert-butylbenzoate

Systemtic Name: [2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-oxo-3-[oxo-(1-phenylethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-keto-3-(1-phenylethylcarbamoyl)chromen-7-yl] ester Formula: C29H27NO5 MolecularWeight: 469.52838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C)OC2=O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C)OC2=O

InChI

InChI=1S/C29H27NO5/c1-18(19-8-6-5-7-9-19)30-26(31)24-16-21-12-15-23(17-25(21)35-28(24)33)34-27(32)20-10-13-22(14-11-20)29(2,3)4/h5-18H,1-4H3,(H,30,31)