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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-benzoxy-3-methoxy-phenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

InChI

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