1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]nipecotic acid Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)OC)OC

InChI

InChI=1S/C24H27NO5S/c1-28-18-11-10-17(22(29-2)23(18)30-3)21(25-12-6-8-16(14-25)24(26)27)20-13-15-7-4-5-9-19(15)31-20/h4-5,7,9-11,13,16,21H,6,8,12,14H2,1-3H3,(H,26,27)