3-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-3-yl]propyl benzoate

Systemtic Name: 3-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-3-yl]propyl benzoate Openeye Name: 3-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-3-yl]propyl benzoate CAS Name: benzoic acid 3-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-quinazolinyl]propyl ester IUPAC Name: 3-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-3-yl]propyl benzoate Traditional Name: benzoic acid 3-(4-keto-2-veratryl-quinazolin-3-yl)propyl ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2CCCOC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2CCCOC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H26N2O5/c1-32-23-14-13-19(17-24(23)33-2)18-25-28-22-12-7-6-11-21(22)26(30)29(25)15-8-16-34-27(31)20-9-4-3-5-10-20/h3-7,9-14,17H,8,15-16,18H2,1-2H3