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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-methyl-2-thienyl)methyl]pipecolinic acid Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CS2)C)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CS2)C)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31NO4S/c1-3-31-24-16-21(12-13-23(24)32-17-20-9-5-4-6-10-20)26(25-15-19(2)18-33-25)28-14-8-7-11-22(28)27(29)30/h4-6,9-10,12-13,15-16,18,22,26H,3,7-8,11,14,17H2,1-2H3,(H,29,30)