[2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 4-tert-butylbenzoate

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C28H25NO5 MolecularWeight: 455.5018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO5/c1-28(2,3)21-12-9-19(10-13-21)26(31)33-22-14-11-20-15-23(27(32)34-24(20)16-22)25(30)29-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,29,30)