[4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[3-(cyclohexylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=C(C=C4)OC(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=C(C=C4)OC(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O4/c1-18-14-15-31-25(16-18)30-26(27(31)29-22-6-4-3-5-7-22)20-10-12-23(13-11-20)36-28(33)21-9-8-19(2)24(17-21)32(34)35/h8-17,22,29H,3-7H2,1-2H3