(3S)-1-[(Z)-4-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(Z)-4-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(Z)-4-(2,4-dimethylphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(Z)-4-(2,4-dimethylphenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(Z)-4-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(Z)-4-(2,4-dimethylphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)/C(=C/CCN2CCC[C@@H](C2)C(=O)O)/C3=C(C=CS3)C)C

InChI

InChI=1S/C23H29NO2S/c1-16-8-9-20(18(3)14-16)21(22-17(2)10-13-27-22)7-5-12-24-11-4-6-19(15-24)23(25)26/h7-10,13-14,19H,4-6,11-12,15H2,1-3H3,(H,25,26)/b21-7-/t19-/m0/s1