2-(5,5-dimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)carbonylcyclohexane-1-carboxylic acid

Systemtic Name: 2-(5,5-dimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)carbonylcyclohexane-1-carboxylic acid Openeye Name: 2-(5,5-dimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-carbonyl)cyclohexanecarboxylic acid CAS Name: 2-[(5,5-dimethyl-2-spiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]yl)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-(5,5-dimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-carbonyl)cyclohexane-1-carboxylic acid Traditional Name: 2-(5,5-dimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-carbonyl)cyclohexanecarboxylic acid Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2(CCCCC2)N(CC3=CC=CC=C31)C(=O)C4CCCCC4C(=O)O)C

Isomeric SMILES

CC1(CC2(CCCCC2)N(CC3=CC=CC=C31)C(=O)C4CCCCC4C(=O)O)C

InChI

InChI=1S/C25H35NO3/c1-24(2)17-25(14-8-3-9-15-25)26(16-18-10-4-7-13-21(18)24)22(27)19-11-5-6-12-20(19)23(28)29/h4,7,10,13,19-20H,3,5-6,8-9,11-12,14-17H2,1-2H3,(H,28,29)