3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzoic acid Openeye Name: 3-[[benzothiophen-5-yl(4-piperidyl)amino]methyl]benzoic acid CAS Name: 3-[[1-benzothiophen-5-yl(4-piperidinyl)amino]methyl]benzoic acid IUPAC Name: 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzoic acid Traditional Name: 3-[[benzothiophen-5-yl(4-piperidyl)amino]methyl]benzoic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC=CC(=C2)C(=O)O)C3=CC4=C(C=C3)SC=C4

Isomeric SMILES

C1CNCCC1N(CC2=CC=CC(=C2)C(=O)O)C3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C21H22N2O2S/c24-21(25)17-3-1-2-15(12-17)14-23(18-6-9-22-10-7-18)19-4-5-20-16(13-19)8-11-26-20/h1-5,8,11-13,18,22H,6-7,9-10,14H2,(H,24,25)