ethyl 2-[3-[3-(benzimidazol-1-yl)propylamino]-2-oxidanyl-propoxy]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[3-[3-(benzimidazol-1-yl)propylamino]-2-oxidanyl-propoxy]pyridine-3-carboxylate Openeye Name: ethyl 2-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxy-propoxy]pyridine-3-carboxylate CAS Name: 2-[3-[3-(1-benzimidazolyl)propylamino]-2-hydroxypropoxy]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxypropoxy]pyridine-3-carboxylate Traditional Name: 2-[3-[3-(benzimidazol-1-yl)propylamino]-2-hydroxy-propoxy]nicotinic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)OCC(CNCCCN2C=NC3=CC=CC=C32)O

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)OCC(CNCCCN2C=NC3=CC=CC=C32)O

InChI

InChI=1S/C21H26N4O4/c1-2-28-21(27)17-7-5-11-23-20(17)29-14-16(26)13-22-10-6-12-25-15-24-18-8-3-4-9-19(18)25/h3-5,7-9,11,15-16,22,26H,2,6,10,12-14H2,1H3