[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)NC4CCCCC4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)NC4CCCCC4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O5/c1-35-23-17-19(12-15-22(23)36-27(32)18-10-13-21(14-11-18)31(33)34)25-26(28-20-7-3-2-4-8-20)30-16-6-5-9-24(30)29-25/h5-6,9-17,20,28H,2-4,7-8H2,1H3