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

Systemtic Name: 1-[(E)-4-(3-bromanylthiophen-2-yl)-4-(3-methylfuran-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(3-bromo-2-thienyl)-4-(3-methyl-2-furyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-(3-bromo-2-thiophenyl)-4-(3-methyl-2-furanyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-(3-bromothiophen-2-yl)-4-(3-methylfuran-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(3-bromo-2-thienyl)-4-(3-methyl-2-furyl)but-3-enyl]nipecotic acid Formula: C19H22BrNO3S MolecularWeight: 424.35188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)Br

Isomeric SMILES

CC1=C(OC=C1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=C(C=CS3)Br

InChI

InChI=1S/C19H22BrNO3S/c1-13-6-10-24-17(13)15(18-16(20)7-11-25-18)5-3-9-21-8-2-4-14(12-21)19(22)23/h5-7,10-11,14H,2-4,8-9,12H2,1H3,(H,22,23)/b15-5+