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

Systemtic Name: 1-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]nipecotic acid Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCCC(C2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCCC(C2)C(=O)O)Br

InChI

InChI=1S/C16H18BrNO3/c1-11-4-5-12(14(17)9-11)6-7-15(19)18-8-2-3-13(10-18)16(20)21/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,21)/b7-6+