[2-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-3-yl] 4-butylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H26N2O5/c1-4-5-8-18-11-13-19(14-12-18)27(31)34-29-25(20-15-16-23(32-2)24(17-20)33-3)28-22-10-7-6-9-21(22)26(29)30/h6-7,9-17H,4-5,8H2,1-3H3