[4-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [4-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-[3-(1,1,3,3-tetramethylbutylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[3-(2,4,4-trimethylpentan-2-ylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-[3-(1,1,3,3-tetramethylbutylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)NC(C)(C)CC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)NC(C)(C)CC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C29H32N4O4/c1-19-10-11-21(17-23(19)33(35)36)27(34)37-22-14-12-20(13-15-22)25-26(31-29(5,6)18-28(2,3)4)32-16-8-7-9-24(32)30-25/h7-17,31H,18H2,1-6H3