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

Systemtic Name: 2-[[5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]indol-1-yl]methyl]benzoic acid Openeye Name: 2-[[5-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]indol-1-yl]methyl]benzoic acid CAS Name: 2-[[5-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 2-[[5-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]indol-1-yl]methyl]benzoic acid Traditional Name: 2-[[5-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]indol-1-yl]methyl]benzoic acid Formula: C30H29N3O3 MolecularWeight: 479.56956

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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)O

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)O

InChI

InChI=1S/C30H29N3O3/c1-3-4-9-28-31-26-12-10-20(2)16-25(26)29(34)33(28)18-21-11-13-27-22(17-21)14-15-32(27)19-23-7-5-6-8-24(23)30(35)36/h5-8,10-17H,3-4,9,18-19H2,1-2H3,(H,35,36)