2-[1-(1-methylindol-3-yl)-2,4-bis(oxidanylidene)-6-pent-1-ynyl-quinazolin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(1-methylindol-3-yl)-2,4-bis(oxidanylidene)-6-pent-1-ynyl-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[1-(1-methylindol-3-yl)-2,4-dioxo-6-pent-1-ynyl-quinazolin-3-yl]acetic acid CAS Name: 2-[1-(1-methyl-3-indolyl)-2,4-dioxo-6-pent-1-ynyl-3-quinazolinyl]acetic acid IUPAC Name: 2-[1-(1-methylindol-3-yl)-2,4-dioxo-6-pent-1-ynylquinazolin-3-yl]acetic acid Traditional Name: 2-[2,4-diketo-1-(1-methylindol-3-yl)-6-pent-1-ynyl-quinazolin-3-yl]acetic acid Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC2=C(C=C1)N(C(=O)N(C2=O)CC(=O)O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCCC#CC1=CC2=C(C=C1)N(C(=O)N(C2=O)CC(=O)O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C24H21N3O4/c1-3-4-5-8-16-11-12-20-18(13-16)23(30)26(15-22(28)29)24(31)27(20)21-14-25(2)19-10-7-6-9-17(19)21/h6-7,9-14H,3-4,15H2,1-2H3,(H,28,29)