(2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-[5-chloranyl-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-[5-chloranyl-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(5-chloro-1-m-anisyl-3-methyl-pyrazol-4-yl)acrylic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)N2CCCCC2)Cl)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)N2CCCCC2)Cl)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26ClN3O4/c1-16-19(9-10-21(28)30-15-20(27)25-11-4-3-5-12-25)22(23)26(24-16)14-17-7-6-8-18(13-17)29-2/h6-10,13H,3-5,11-12,14-15H2,1-2H3/b10-9+