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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3-ethoxy-4-methoxy-phenyl)methyl]nipecotic acid Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)OC

InChI

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