2-[3-[[(3-chlorophenyl)-propan-2-yl-carbamoyl]-propan-2-yl-amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[(3-chlorophenyl)-propan-2-yl-carbamoyl]-propan-2-yl-amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[[(3-chlorophenyl)-isopropyl-carbamoyl]-isopropyl-amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[(3-chloro-N-propan-2-ylanilino)-oxomethyl]-propan-2-ylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[[(3-chlorophenyl)-propan-2-ylcarbamoyl]-propan-2-ylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[[(3-chlorophenyl)-isopropyl-carbamoyl]-isopropyl-amino]-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C31H34ClN3O4 MolecularWeight: 548.07236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3)C(=O)N(C4=CC(=CC=C4)Cl)C(C)C

Isomeric SMILES

CC(C)N(C1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3)C(=O)N(C4=CC(=CC=C4)Cl)C(C)C

InChI

InChI=1S/C31H34ClN3O4/c1-20(2)34(24-14-10-13-23(32)17-24)31(39)35(21(3)4)28-18-26(22-11-6-5-7-12-22)25-15-8-9-16-27(25)33(30(28)38)19-29(36)37/h5-17,20-21,26,28H,18-19H2,1-4H3,(H,36,37)