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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O)OC

InChI

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