ethyl 1-(3-methylbutyl)-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 1-(3-methylbutyl)-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 1-isopentyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 1-(3-methylbutyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylbutyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 1-isoamyl-2-keto-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N2C3=CC=CC=C3N=C2N(C1=O)CCC(C)C)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1C(N2C3=CC=CC=C3N=C2N(C1=O)CCC(C)C)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O4/c1-4-36-29(35)26-27(21-11-10-14-23(19-21)37-22-12-6-5-7-13-22)33-25-16-9-8-15-24(25)31-30(33)32(28(26)34)18-17-20(2)3/h5-16,19-20,26-27H,4,17-18H2,1-3H3