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

Systemtic Name: ethyl 1-(3-methylbutyl)-2-oxidanylidene-4-(4-propoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 1-isopentyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 1-(3-methylbutyl)-2-oxo-4-(4-propoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylbutyl)-2-oxo-4-(4-propoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 1-isoamyl-2-keto-4-(4-propoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(=O)N(C3=NC4=CC=CC=C4N23)CCC(C)C)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C(C(=O)N(C3=NC4=CC=CC=C4N23)CCC(C)C)C(=O)OCC

InChI

InChI=1S/C27H33N3O4/c1-5-17-34-20-13-11-19(12-14-20)24-23(26(32)33-6-2)25(31)29(16-15-18(3)4)27-28-21-9-7-8-10-22(21)30(24)27/h7-14,18,23-24H,5-6,15-17H2,1-4H3