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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C20H25NO4S/c1-3-25-17-12-14(8-9-16(17)24-2)19(18-7-5-11-26-18)21-10-4-6-15(13-21)20(22)23/h5,7-9,11-12,15,19H,3-4,6,10,13H2,1-2H3,(H,22,23)