1-[2-[5-bromanyl-3-(4-oxidanyl-4-oxidanylidene-butanoyl)indol-1-yl]-6-(furan-2-yl)quinazolin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[5-bromanyl-3-(4-oxidanyl-4-oxidanylidene-butanoyl)indol-1-yl]-6-(furan-2-yl)quinazolin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[5-bromo-3-(4-hydroxy-4-oxo-butanoyl)indol-1-yl]-6-(2-furyl)quinazolin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[2-[5-bromo-3-(4-hydroxy-1,4-dioxobutyl)-1-indolyl]-6-(2-furanyl)-4-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[5-bromo-3-(4-hydroxy-4-oxobutanoyl)indol-1-yl]-6-(furan-2-yl)quinazolin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[5-bromo-3-(4-hydroxy-4-keto-butanoyl)indol-1-yl]-6-(2-furyl)quinazolin-4-yl]isonipecotic acid Formula: C30H25BrN4O6 MolecularWeight: 617.4467

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

InChI

InChI=1S/C30H25BrN4O6/c31-19-4-6-24-20(15-19)22(25(36)7-8-27(37)38)16-35(24)30-32-23-5-3-18(26-2-1-13-41-26)14-21(23)28(33-30)34-11-9-17(10-12-34)29(39)40/h1-6,13-17H,7-12H2,(H,37,38)(H,39,40)