(1S,6S)-6-[(4-methylphenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[(4-methylphenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-(p-tolylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[(4-methylphenyl)methylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[(4-methylphenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[(4-methylbenzyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O

InChI

InChI=1S/C16H19NO3/c1-11-6-8-12(9-7-11)10-17-15(18)13-4-2-3-5-14(13)16(19)20/h2-3,6-9,13-14H,4-5,10H2,1H3,(H,17,18)(H,19,20)/t13-,14-/m0/s1