2-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[4-[2-(methylamino)-2-oxoethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-[2-keto-2-(methylamino)ethyl]phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O

InChI

InChI=1S/C17H22N2O4/c1-18-15(20)10-11-6-8-12(9-7-11)19-16(21)13-4-2-3-5-14(13)17(22)23/h6-9,13-14H,2-5,10H2,1H3,(H,18,20)(H,19,21)(H,22,23)