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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-benzoxy-3-methoxy-phenyl)methyl]isonipecotic acid Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H29NO4S/c1-33-26-17-22(11-12-25(26)34-18-20-7-3-2-4-8-20)28(30-15-13-21(14-16-30)29(31)32)24-19-35-27-10-6-5-9-23(24)27/h2-12,17,19,21,28H,13-16,18H2,1H3,(H,31,32)