3-chloranyl-4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoic acid

Systemtic Name: 3-chloranyl-4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoic acid Openeye Name: 3-chloro-4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoic acid CAS Name: 3-chloro-4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methyl-methylamino]benzoic acid IUPAC Name: 3-chloro-4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methyl-methylamino]benzoic acid Traditional Name: 3-chloro-4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoic acid Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)O)C3=C(C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)O)C3=C(C=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C23H26ClN3O3/c1-26(21-7-6-19(22(28)29)14-20(21)24)16-23(30)9-12-27(13-10-23)11-8-17-2-4-18(15-25)5-3-17/h2-7,14,30H,8-13,16H2,1H3,(H,28,29)