methyl 2-[[2-butyl-1-(1H-indol-5-yl)-2,6-dimethyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzoate

Systemtic Name: methyl 2-[[2-butyl-1-(1H-indol-5-yl)-2,6-dimethyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzoate Openeye Name: methyl 2-[[2-butyl-1-(1H-indol-5-yl)-2,6-dimethyl-4-oxo-quinazolin-3-yl]methyl]benzoate CAS Name: 2-[[2-butyl-1-(1H-indol-5-yl)-2,6-dimethyl-4-oxo-3-quinazolinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-butyl-1-(1H-indol-5-yl)-2,6-dimethyl-4-oxoquinazolin-3-yl]methyl]benzoate Traditional Name: 2-[[2-butyl-1-(1H-indol-5-yl)-4-keto-2,6-dimethyl-quinazolin-3-yl]methyl]benzoic acid methyl ester Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(N(C(=O)C2=C(N1C3=CC4=C(C=C3)NC=C4)C=CC(=C2)C)CC5=CC=CC=C5C(=O)OC)C

Isomeric SMILES

CCCCC1(N(C(=O)C2=C(N1C3=CC4=C(C=C3)NC=C4)C=CC(=C2)C)CC5=CC=CC=C5C(=O)OC)C

InChI

InChI=1S/C31H33N3O3/c1-5-6-16-31(3)33(20-23-9-7-8-10-25(23)30(36)37-4)29(35)26-18-21(2)11-14-28(26)34(31)24-12-13-27-22(19-24)15-17-32-27/h7-15,17-19,32H,5-6,16,20H2,1-4H3