1-[(3-methylphenyl)carbonylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[(3-methylbenzoyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[(3-methylphenyl)-oxomethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(3-methylbenzoyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-(m-toluoylamino)cycloheptanecarboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-12-7-6-8-13(11-12)14(18)17-16(15(19)20)9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,17,18)(H,19,20)