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

Systemtic Name: 1-[1-benzothiophen-2-yl-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(4-ethoxy-3-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(4-ethoxy-3-methoxy-phenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O)OC

InChI

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