[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2CCC=CC2

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)[C@H]2CCC=CC2

InChI

InChI=1S/C17H21NO3/c1-13-7-5-6-10-15(13)11-18-16(19)12-21-17(20)14-8-3-2-4-9-14/h2-3,5-7,10,14H,4,8-9,11-12H2,1H3,(H,18,19)/t14-/m1/s1