ethyl 4-[3-(3-methylbutoxy)phenyl]-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 4-[3-(3-methylbutoxy)phenyl]-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(3-isopentyloxyphenyl)-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-[3-(3-methylbutoxy)phenyl]-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-methylbutoxy)phenyl]-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(3-isoamoxyphenyl)-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2NC3=CC=CC=C3N2C1C4=CC(=CC=C4)OCCC(C)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N=C2NC3=CC=CC=C3N2C1C4=CC(=CC=C4)OCCC(C)C)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c1-4-35-29(34)26-27(21-11-6-5-7-12-21)32-30-31-24-15-8-9-16-25(24)33(30)28(26)22-13-10-14-23(19-22)36-18-17-20(2)3/h5-16,19-20,28H,4,17-18H2,1-3H3,(H,31,32)