(1S,6R)-6-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[1-(o-tolylmethyl)pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[[1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[1-(2-methylbenzyl)pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C19H20N3O3- MolecularWeight: 338.3804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C19H21N3O3/c1-13-6-2-3-7-14(13)11-22-12-15(10-20-22)21-18(23)16-8-4-5-9-17(16)19(24)25/h2-7,10,12,16-17H,8-9,11H2,1H3,(H,21,23)(H,24,25)/p-1/t16-,17+/m1/s1