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

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-ethoxy-3-methoxy-phenyl)methyl]nipecotic acid Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OC

InChI

InChI=1S/C24H27NO4S/c1-3-29-20-11-10-16(13-21(20)28-2)23(25-12-6-7-17(14-25)24(26)27)19-15-30-22-9-5-4-8-18(19)22/h4-5,8-11,13,15,17,23H,3,6-7,12,14H2,1-2H3,(H,26,27)