1-[(3-ethoxy-4-methoxy-phenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(2-thienyl)methyl]isonipecotic acid Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C20H25NO4S/c1-3-25-17-13-15(6-7-16(17)24-2)19(18-5-4-12-26-18)21-10-8-14(9-11-21)20(22)23/h4-7,12-14,19H,3,8-11H2,1-2H3,(H,22,23)