methyl 4-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoate

Systemtic Name: methyl 4-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoate Openeye Name: methyl 4-[4-oxo-3-(4-sec-butylphenyl)-1,2-dihydroquinazolin-2-yl]benzoate CAS Name: 4-[3-(4-butan-2-ylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-butan-2-ylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate Traditional Name: 4-[4-keto-3-(4-sec-butylphenyl)-1,2-dihydroquinazolin-2-yl]benzoic acid methyl ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H26N2O3/c1-4-17(2)18-13-15-21(16-14-18)28-24(19-9-11-20(12-10-19)26(30)31-3)27-23-8-6-5-7-22(23)25(28)29/h5-17,24,27H,4H2,1-3H3