4-azanyl-5-(2-azanylethyl)-6-[2-(3-chlorophenyl)-2-oxidanyl-ethyl]-2-phenyl-pyridine-3-carboxylic acid

Systemtic Name: 4-azanyl-5-(2-azanylethyl)-6-[2-(3-chlorophenyl)-2-oxidanyl-ethyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-amino-5-(2-aminoethyl)-6-[2-(3-chlorophenyl)-2-hydroxy-ethyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-amino-5-(2-aminoethyl)-6-[2-(3-chlorophenyl)-2-hydroxyethyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-amino-5-(2-aminoethyl)-6-[2-(3-chlorophenyl)-2-hydroxyethyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-amino-5-(2-aminoethyl)-6-[2-(3-chlorophenyl)-2-hydroxy-ethyl]-2-phenyl-nicotinic acid Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2C(=O)O)N)CCN)CC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2C(=O)O)N)CCN)CC(C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C22H22ClN3O3/c23-15-8-4-7-14(11-15)18(27)12-17-16(9-10-24)20(25)19(22(28)29)21(26-17)13-5-2-1-3-6-13/h1-8,11,18,27H,9-10,12,24H2,(H2,25,26)(H,28,29)