(1S,6R)-6-[[4-(3-methylpyrazol-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[[4-(3-methylpyrazol-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[4-(3-methylpyrazol-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[4-(3-methyl-1-pyrazolyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[4-(3-methylpyrazol-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[4-(3-methylpyrazol-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CC1=NN(C=C1)C2=CC=C(C=C2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O

InChI

InChI=1S/C18H19N3O3/c1-12-10-11-21(20-12)14-8-6-13(7-9-14)19-17(22)15-4-2-3-5-16(15)18(23)24/h2-3,6-11,15-16H,4-5H2,1H3,(H,19,22)(H,23,24)/t15-,16+/m1/s1