[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCC=CC2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)[C@H]2CCC=CC2

InChI

InChI=1S/C19H25NO3/c1-3-14(2)15-9-11-17(12-10-15)20-18(21)13-23-19(22)16-7-5-4-6-8-16/h4-5,9-12,14,16H,3,6-8,13H2,1-2H3,(H,20,21)/t14-,16+/m0/s1