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

Systemtic Name: 1-[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]isonipecotic acid Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO3/c1-11-2-3-12(10-14(11)17)4-5-15(19)18-8-6-13(7-9-18)16(20)21/h2-5,10,13H,6-9H2,1H3,(H,20,21)/b5-4+