[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] imidazo[1,2-a]pyridine-2-carboxylate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] imidazo[1,2-a]pyridine-2-carboxylate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] imidazo[1,2-a]pyridine-2-carboxylate CAS Name: 2-imidazo[1,2-a]pyridinecarboxylic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate Traditional Name: imidazo[1,2-a]pyridine-2-carboxylic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CN3C=CC=CC3=N2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CN3C=CC=CC3=N2

InChI

InChI=1S/C21H21N3O5/c1-2-3-12-28-20(26)15-7-9-16(10-8-15)22-19(25)14-29-21(27)17-13-24-11-5-4-6-18(24)23-17/h4-11,13H,2-3,12,14H2,1H3,(H,22,25)