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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]nipecotic acid Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C26H29NO4S/c1-18-13-24(32-17-18)25(27-12-6-9-21(15-27)26(28)29)20-10-11-22(23(14-20)30-2)31-16-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-14,17,21,25H,6,9,12,15-16H2,1-2H3,(H,28,29)