2-[[5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-2,7a-dihydroindol-1-yl]carbonyl]benzoic acid

Systemtic Name: 2-[[5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-2,7a-dihydroindol-1-yl]carbonyl]benzoic acid Openeye Name: 2-[5-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]-2,7a-dihydroindole-1-carbonyl]benzoic acid CAS Name: 2-[[5-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]-2,7a-dihydroindol-1-yl]-oxomethyl]benzoic acid IUPAC Name: 2-[5-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]-2,7a-dihydroindole-1-carbonyl]benzoic acid Traditional Name: 2-[5-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]-2,7a-dihydroindole-1-carbonyl]benzoic acid Formula: C30H29N3O4 MolecularWeight: 495.56896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC4=CCN(C4C=C3)C(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC4=CCN(C4C=C3)C(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C30H29N3O4/c1-3-4-9-27-31-25-12-10-19(2)16-24(25)29(35)33(27)18-20-11-13-26-21(17-20)14-15-32(26)28(34)22-7-5-6-8-23(22)30(36)37/h5-8,10-14,16-17,26H,3-4,9,15,18H2,1-2H3,(H,36,37)