methyl 3-[1-[4-(2-cyclohexyliminopyridin-1-yl)carbonylphenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[4-(2-cyclohexyliminopyridin-1-yl)carbonylphenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(2-cyclohexyliminopyridine-1-carbonyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(2-cyclohexylimino-1-pyridinyl)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(2-cyclohexyliminopyridine-1-carbonyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(2-cyclohexyliminopyridine-1-carbonyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3C=CC=CC3=NC4CCCCC4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3C=CC=CC3=NC4CCCCC4)C)CCC(=O)OC

InChI

InChI=1S/C27H32N4O3/c1-19-24(16-17-26(32)34-3)20(2)31(29-19)23-14-12-21(13-15-23)27(33)30-18-8-7-11-25(30)28-22-9-5-4-6-10-22/h7-8,11-15,18,22H,4-6,9-10,16-17H2,1-3H3