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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(4-benzoxy-3-methoxy-phenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

InChI

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