1-[(Z)-4-(4-chloranyl-2-methyl-phenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(Z)-4-(4-chloranyl-2-methyl-phenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(4-chloro-2-methyl-phenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(4-chloro-2-methylphenyl)-4-(1-methyl-2-pyrrolyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(4-chloro-2-methylphenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(4-chloro-2-methyl-phenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]nipecotic acid Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CN3C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)/C(=C/CCN2CCCC(C2)C(=O)O)/C3=CC=CN3C

InChI

InChI=1S/C22H27ClN2O2/c1-16-14-18(23)9-10-19(16)20(21-8-5-11-24(21)2)7-4-13-25-12-3-6-17(15-25)22(26)27/h5,7-11,14,17H,3-4,6,12-13,15H2,1-2H3,(H,26,27)/b20-7-