1-[(3-methylthiophen-2-yl)-phenyl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylthiophen-2-yl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-phenyl-methyl]nipecotic acid Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H21NO2S/c1-13-9-11-22-17(13)16(14-6-3-2-4-7-14)19-10-5-8-15(12-19)18(20)21/h2-4,6-7,9,11,15-16H,5,8,10,12H2,1H3,(H,20,21)