3-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)methyl]benzoic acid; hydron; chloride

Systemtic Name: 3-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)methyl]benzoic acid; hydron; chloride Openeye Name: 3-[(4-ethoxycarbonyl-4-phenyl-1-piperidyl)methyl]benzoic acid; hydron; chloride CAS Name: 3-[(4-ethoxycarbonyl-4-phenyl-1-piperidinyl)methyl]benzoic acid; hydron; chloride IUPAC Name: 3-[(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)methyl]benzoic acid; hydron; chloride Traditional Name: 3-[(4-carbethoxy-4-phenyl-piperidino)methyl]benzoic acid; hydron; chloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCOC(=O)C1(CCN(CC1)CC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

[H+].CCOC(=O)C1(CCN(CC1)CC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H25NO4.ClH/c1-2-27-21(26)22(19-9-4-3-5-10-19)11-13-23(14-12-22)16-17-7-6-8-18(15-17)20(24)25;/h3-10,15H,2,11-14,16H2,1H3,(H,24,25);1H