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

Systemtic Name: ethyl 1-(3-methylbutyl)-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(4-benzyloxyphenyl)-1-isopentyl-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 1-(3-methylbutyl)-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylbutyl)-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-1-isoamyl-2-keto-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C31H33N3O4 MolecularWeight: 511.61142

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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=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1C(N2C3=CC=CC=C3N=C2N(C1=O)CCC(C)C)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O4/c1-4-37-30(36)27-28(23-14-16-24(17-15-23)38-20-22-10-6-5-7-11-22)34-26-13-9-8-12-25(26)32-31(34)33(29(27)35)19-18-21(2)3/h5-17,21,27-28H,4,18-20H2,1-3H3