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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=N2)CC(C3=CC(=CC=C3)Cl)O)CCN)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=N2)CC(C3=CC(=CC=C3)Cl)O)CCN)C(=O)O)N

InChI

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