ethyl 7-[[(2-methoxycarbonyl-6-nitro-phenyl)amino]methyl]-8-pentanoyl-2-phenyl-5H-imidazo[1,2-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 7-[[(2-methoxycarbonyl-6-nitro-phenyl)amino]methyl]-8-pentanoyl-2-phenyl-5H-imidazo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 7-[(2-methoxycarbonyl-6-nitro-anilino)methyl]-8-pentanoyl-2-phenyl-5H-imidazo[1,2-a]pyrimidine-3-carboxylate CAS Name: 7-[(2-methoxycarbonyl-6-nitroanilino)methyl]-8-(1-oxopentyl)-2-phenyl-5H-imidazo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[(2-methoxycarbonyl-6-nitroanilino)methyl]-8-pentanoyl-2-phenyl-5H-imidazo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 7-[(2-carbomethoxy-6-nitro-anilino)methyl]-2-phenyl-8-valeryl-5H-imidazo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C29H31N5O7 MolecularWeight: 561.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C(=CCN2C1=NC(=C2C(=O)OCC)C3=CC=CC=C3)CNC4=C(C=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCC(=O)N1C(=CCN2C1=NC(=C2C(=O)OCC)C3=CC=CC=C3)CNC4=C(C=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C29H31N5O7/c1-4-6-15-23(35)33-20(18-30-25-21(27(36)40-3)13-10-14-22(25)34(38)39)16-17-32-26(28(37)41-5-2)24(31-29(32)33)19-11-8-7-9-12-19/h7-14,16,30H,4-6,15,17-18H2,1-3H3