[4-(phenylcarbamoyl)phenyl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C24H21NO5 MolecularWeight: 403.42724

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)OC1

InChI

InChI=1S/C24H21NO5/c26-23(25-20-5-2-1-3-6-20)18-9-7-17(8-10-18)16-30-24(27)19-11-12-21-22(15-19)29-14-4-13-28-21/h1-3,5-12,15H,4,13-14,16H2,(H,25,26)