1-[(3,4-dimethylphenyl)carbonylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(3,4-dimethylphenyl)carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[(3,4-dimethylbenzoyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(3,4-dimethylbenzoyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[(3,4-dimethylbenzoyl)amino]cycloheptanecarboxylic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2(CCCCCC2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2(CCCCCC2)C(=O)O)C

InChI

InChI=1S/C17H23NO3/c1-12-7-8-14(11-13(12)2)15(19)18-17(16(20)21)9-5-3-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)(H,20,21)