(1S,6S)-6-[[2-(methylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[[2-(methylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[[2-(methylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[2-(methylcarbamoyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[[2-(methylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[[2-(methylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1NC(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CNC(=O)C1=CC=CC=C1NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O

InChI

InChI=1S/C16H18N2O4/c1-17-14(19)12-8-4-5-9-13(12)18-15(20)10-6-2-3-7-11(10)16(21)22/h2-5,8-11H,6-7H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t10-,11-/m0/s1