1-[(2,6-dimethoxyphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(3-thienyl)methyl]nipecotic acid Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H23NO4S/c1-23-15-6-3-7-16(24-2)17(15)18(14-8-10-25-12-14)20-9-4-5-13(11-20)19(21)22/h3,6-8,10,12-13,18H,4-5,9,11H2,1-2H3,(H,21,22)