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

Systemtic Name: methyl 1-[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]isonipecotic acid methyl ester Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N2CCC(CC2)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N2CCC(CC2)C(=O)OC)Cl

InChI

InChI=1S/C17H20ClNO3/c1-12-3-4-13(11-15(12)18)5-6-16(20)19-9-7-14(8-10-19)17(21)22-2/h3-6,11,14H,7-10H2,1-2H3/b6-5+