[3-[3-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-butylbenzoate

Systemtic Name: [3-[3-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-butylbenzoate Openeye Name: [3-[3-[(2-ethoxy-2-oxo-ethyl)amino]-5-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [3-[3-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[3-[(2-ethoxy-2-oxoethyl)amino]-5-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [3-[3-[(2-ethoxy-2-keto-ethyl)amino]-5-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C3=C(N4C(=CC=CC4=N3)C)NCC(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C3=C(N4C(=CC=CC4=N3)C)NCC(=O)OCC

InChI

InChI=1S/C29H31N3O4/c1-4-6-10-21-14-16-22(17-15-21)29(34)36-24-12-8-11-23(18-24)27-28(30-19-26(33)35-5-2)32-20(3)9-7-13-25(32)31-27/h7-9,11-18,30H,4-6,10,19H2,1-3H3