2-[3-[tert-butylcarbamoyl-(3-methylphenyl)amino]-5-cyclohexyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-methylphenyl)amino]-5-cyclohexyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(N-[(tert-butylamino)-oxomethyl]-3-methylanilino)-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methylanilino]-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-5-cyclohexyl-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C30H39N3O4 MolecularWeight: 505.64836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)C4CCCCC4)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)C4CCCCC4)C(=O)NC(C)(C)C

InChI

InChI=1S/C30H39N3O4/c1-20-11-10-14-22(17-20)33(29(37)31-30(2,3)4)26-18-24(21-12-6-5-7-13-21)23-15-8-9-16-25(23)32(28(26)36)19-27(34)35/h8-11,14-17,21,24,26H,5-7,12-13,18-19H2,1-4H3,(H,31,37)(H,34,35)