propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-[(3-methylpiperidin-1-yl)methyl]phenyl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-[(3-methylpiperidin-1-yl)methyl]phenyl]prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-[2,5-dimethyl-3-[(3-methyl-1-piperidyl)methyl]phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(3-methyl-1-piperidinyl)methyl]phenyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-[(3-methylpiperidin-1-yl)methyl]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(3-methylpiperidino)methyl]phenyl]acrylic acid isopropyl ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=C(C(=CC(=C2)C)C=C(C#N)C(=O)OC(C)C)C

Isomeric SMILES

CC1CCCN(C1)CC2=C(C(=CC(=C2)C)/C=C(\C#N)/C(=O)OC(C)C)C

InChI

InChI=1S/C22H30N2O2/c1-15(2)26-22(25)20(12-23)11-19-9-17(4)10-21(18(19)5)14-24-8-6-7-16(3)13-24/h9-11,15-16H,6-8,13-14H2,1-5H3/b20-11+