1-[(3,4-dimethoxyphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(3-thienyl)methyl]isonipecotic acid Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O)OC

InChI

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