2-[(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)carbonyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)carbonyl]cyclohexane-1-carboxylic acid Openeye Name: 2-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepine-2-carbonyl)cyclohexanecarboxylic acid CAS Name: 2-[oxo-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepine-2-carbonyl)cyclohexane-1-carboxylic acid Traditional Name: 2-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepine-2-carbonyl)cyclohexanecarboxylic acid Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N(CC2=CC=CC=C21)C(=O)C3CCCCC3C(=O)O)(C)C)C

Isomeric SMILES

CC1(CC(N(CC2=CC=CC=C21)C(=O)C3CCCCC3C(=O)O)(C)C)C

InChI

InChI=1S/C22H31NO3/c1-21(2)14-22(3,4)23(13-15-9-5-8-12-18(15)21)19(24)16-10-6-7-11-17(16)20(25)26/h5,8-9,12,16-17H,6-7,10-11,13-14H2,1-4H3,(H,25,26)