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

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C18H21NO4 MolecularWeight: 315.36364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)C2CCC=CC2

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)[C@H]2CCC=CC2

InChI

InChI=1S/C18H21NO4/c1-13(20)19-11-14-7-9-15(10-8-14)17(21)12-23-18(22)16-5-3-2-4-6-16/h2-3,7-10,16H,4-6,11-12H2,1H3,(H,19,20)/t16-/m1/s1