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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]nipecotic acid Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4S/c1-3-29-20-12-11-18(14-21(20)30-4-2)24(26-13-7-9-19(16-26)25(27)28)23-15-17-8-5-6-10-22(17)31-23/h5-6,8,10-12,14-15,19,24H,3-4,7,9,13,16H2,1-2H3,(H,27,28)