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

Systemtic Name: 1-[(Z)-4-(3-bromanylthiophen-2-yl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(3-bromo-2-thienyl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(3-bromo-2-thiophenyl)-4-phenylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(3-bromothiophen-2-yl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(3-bromo-2-thienyl)-4-phenyl-but-3-enyl]nipecotic acid Formula: C20H22BrNO2S MolecularWeight: 420.36318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC=C(C2=CC=CC=C2)C3=C(C=CS3)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC/C=C(/C2=CC=CC=C2)\C3=C(C=CS3)Br)C(=O)O

InChI

InChI=1S/C20H22BrNO2S/c21-18-10-13-25-19(18)17(15-6-2-1-3-7-15)9-5-12-22-11-4-8-16(14-22)20(23)24/h1-3,6-7,9-10,13,16H,4-5,8,11-12,14H2,(H,23,24)/b17-9-