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

Systemtic Name: ethyl 1-butyl-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 1-butyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 1-butyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 1-butyl-2-keto-4-(3-phenoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(N2C1=NC3=CC=CC=C32)C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C(C(N2C1=NC3=CC=CC=C32)C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C29H29N3O4/c1-3-5-18-31-27(33)25(28(34)35-4-2)26(32-24-17-10-9-16-23(24)30-29(31)32)20-12-11-15-22(19-20)36-21-13-7-6-8-14-21/h6-17,19,25-26H,3-5,18H2,1-2H3