2-[[2-(carboxymethylamino)-3H-benzimidazol-5-yl]methyl-propyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2-(carboxymethylamino)-3H-benzimidazol-5-yl]methyl-propyl-amino]pyridine-3-carboxylic acid Openeye Name: 2-[[2-(carboxymethylamino)-3H-benzimidazol-5-yl]methyl-propyl-amino]pyridine-3-carboxylic acid CAS Name: 2-[[2-(carboxymethylamino)-3H-benzimidazol-5-yl]methyl-propylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-(carboxymethylamino)-3H-benzimidazol-5-yl]methyl-propylamino]pyridine-3-carboxylic acid Traditional Name: 2-[[2-(carboxymethylamino)-3H-benzimidazol-5-yl]methyl-propyl-amino]nicotinic acid Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC2=C(C=C1)N=C(N2)NCC(=O)O)C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CCCN(CC1=CC2=C(C=C1)N=C(N2)NCC(=O)O)C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C19H21N5O4/c1-2-8-24(17-13(18(27)28)4-3-7-20-17)11-12-5-6-14-15(9-12)23-19(22-14)21-10-16(25)26/h3-7,9H,2,8,10-11H2,1H3,(H,25,26)(H,27,28)(H2,21,22,23)