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

Systemtic Name: 2-[3-[(1-methylcyclohexyl)carbamoyl-(3-methylphenyl)amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[3-methyl-N-[(1-methylcyclohexyl)carbamoyl]anilino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(3-methyl-N-[[(1-methylcyclohexyl)amino]-oxomethyl]anilino)-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[3-methyl-N-[(1-methylcyclohexyl)carbamoyl]anilino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[3-methyl-N-[(1-methylcyclohexyl)carbamoyl]anilino]-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C33H37N3O4 MolecularWeight: 539.66458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4)C(=O)NC5(CCCCC5)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4)C(=O)NC5(CCCCC5)C

InChI

InChI=1S/C33H37N3O4/c1-23-12-11-15-25(20-23)36(32(40)34-33(2)18-9-4-10-19-33)29-21-27(24-13-5-3-6-14-24)26-16-7-8-17-28(26)35(31(29)39)22-30(37)38/h3,5-8,11-17,20,27,29H,4,9-10,18-19,21-22H2,1-2H3,(H,34,40)(H,37,38)