2-[7-[(4-cyanophenyl)methylcarbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-cyanophenyl)methylcarbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[7-[(4-cyanophenyl)methylcarbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[7-[[(4-cyanophenyl)methylamino]-oxomethyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[7-[(4-cyanophenyl)methylcarbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[7-[(4-cyanobenzyl)carbamoyl]-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C#N)CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C#N)CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C29H27N3O4/c30-17-21-6-8-22(9-7-21)18-31-28(35)23-10-11-24-19-32(13-12-20-4-2-1-3-5-20)29(36)26(16-27(33)34)15-25(24)14-23/h1-11,14,26H,12-13,15-16,18-19H2,(H,31,35)(H,33,34)