4-[1-[4-(4-butylphenyl)-6-(furan-2-yl)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-[4-(4-butylphenyl)-6-(furan-2-yl)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[4-(4-butylphenyl)-6-(2-furyl)quinazolin-2-yl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[1-[4-(4-butylphenyl)-6-(2-furanyl)-2-quinazolinyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-[4-(4-butylphenyl)-6-(furan-2-yl)quinazolin-2-yl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[1-[4-(4-butylphenyl)-6-(2-furyl)quinazolin-2-yl]indol-3-yl]-4-keto-butyric acid Formula: C34H29N3O4 MolecularWeight: 543.61176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=CC=CC=C65)C(=O)CCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=CC=CC=C65)C(=O)CCC(=O)O

InChI

InChI=1S/C34H29N3O4/c1-2-3-7-22-11-13-23(14-12-22)33-26-20-24(31-10-6-19-41-31)15-16-28(26)35-34(36-33)37-21-27(30(38)17-18-32(39)40)25-8-4-5-9-29(25)37/h4-6,8-16,19-21H,2-3,7,17-18H2,1H3,(H,39,40)