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

Systemtic Name: 1-[(E)-4-(3-methylfuran-2-yl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(3-methyl-2-furyl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-(3-methyl-2-furanyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-(3-methylfuran-2-yl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(3-methyl-2-furyl)-4-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/b17-6+