[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H29N3O3/c1-16-9-8-10-17(2)25(16)22(27)15-29-23(28)14-13-21-18(3)24-26(19(21)4)20-11-6-5-7-12-20/h5-7,11-14,16-17H,8-10,15H2,1-4H3/b14-13+