propan-2-yl (E)-3-cyano-4-[2,4-dimethyl-5-[(3-methylpiperidin-1-yl)methyl]phenyl]but-3-enoate

Systemtic Name: propan-2-yl (E)-3-cyano-4-[2,4-dimethyl-5-[(3-methylpiperidin-1-yl)methyl]phenyl]but-3-enoate Openeye Name: isopropyl (E)-3-cyano-4-[2,4-dimethyl-5-[(3-methyl-1-piperidyl)methyl]phenyl]but-3-enoate CAS Name: (E)-3-cyano-4-[2,4-dimethyl-5-[(3-methyl-1-piperidinyl)methyl]phenyl]-3-butenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-cyano-4-[2,4-dimethyl-5-[(3-methylpiperidin-1-yl)methyl]phenyl]but-3-enoate Traditional Name: (E)-3-cyano-4-[2,4-dimethyl-5-[(3-methylpiperidino)methyl]phenyl]but-3-enoic acid isopropyl ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2/c1-16(2)27-23(26)11-20(13-24)10-21-12-22(19(5)9-18(21)4)15-25-8-6-7-17(3)14-25/h9-10,12,16-17H,6-8,11,14-15H2,1-5H3/b20-10+