1-[(3-methoxy-4-phenylmethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]pipecolinic acid Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCCC4C(=O)O

InChI

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