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

Systemtic Name: methyl 2-[[5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[5-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]indol-1-yl]methyl]benzoate CAS Name: 2-[[5-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]indol-1-yl]methyl]benzoate Traditional Name: 2-[[5-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]indol-1-yl]methyl]benzoic acid methyl ester Formula: C31H31N3O3 MolecularWeight: 493.59614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5C(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C31H31N3O3/c1-4-5-10-29-32-27-13-11-21(2)17-26(27)30(35)34(29)19-22-12-14-28-23(18-22)15-16-33(28)20-24-8-6-7-9-25(24)31(36)37-3/h6-9,11-18H,4-5,10,19-20H2,1-3H3