2-[2-cyclohexyl-7-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[2-cyclohexyl-7-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[2-cyclohexyl-7-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[2-cyclohexyl-7-[[methyl-[2-(4-piperidinyl)ethyl]amino]-oxomethyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[2-cyclohexyl-7-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[2-cyclohexyl-3-keto-7-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCNCC1)C(=O)C2=CC3=C(CN(C(=O)C(C3)CC(=O)O)C4CCCCC4)C=C2

Isomeric SMILES

CN(CCC1CCNCC1)C(=O)C2=CC3=C(CN(C(=O)C(C3)CC(=O)O)C4CCCCC4)C=C2

InChI

InChI=1S/C27H39N3O4/c1-29(14-11-19-9-12-28-13-10-19)26(33)20-7-8-21-18-30(24-5-3-2-4-6-24)27(34)23(17-25(31)32)16-22(21)15-20/h7-8,15,19,23-24,28H,2-6,9-14,16-18H2,1H3,(H,31,32)