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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

InChI

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