methyl 1-[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)acryloyl]isonipecotic acid methyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)N2CCC(CC2)C(=O)OC)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)N2CCC(CC2)C(=O)OC)Cl)OC

InChI

InChI=1S/C18H22ClNO5/c1-23-15-11-12(10-14(19)17(15)24-2)4-5-16(21)20-8-6-13(7-9-20)18(22)25-3/h4-5,10-11,13H,6-9H2,1-3H3/b5-4+