3-[1-[(1-methylindol-3-yl)methyl]-2,4-bis(oxidanylidene)-5-pentyl-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[1-[(1-methylindol-3-yl)methyl]-2,4-bis(oxidanylidene)-5-pentyl-quinazolin-3-yl]propanoic acid Openeye Name: 3-[1-[(1-methylindol-3-yl)methyl]-2,4-dioxo-5-pentyl-quinazolin-3-yl]propanoic acid CAS Name: 3-[1-[(1-methyl-3-indolyl)methyl]-2,4-dioxo-5-pentyl-3-quinazolinyl]propanoic acid IUPAC Name: 3-[1-[(1-methylindol-3-yl)methyl]-2,4-dioxo-5-pentylquinazolin-3-yl]propanoic acid Traditional Name: 3-[5-amyl-2,4-diketo-1-[(1-methylindol-3-yl)methyl]quinazolin-3-yl]propionic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=CC=C1)N(C(=O)N(C2=O)CCC(=O)O)CC3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCCCCC1=C2C(=CC=C1)N(C(=O)N(C2=O)CCC(=O)O)CC3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C26H29N3O4/c1-3-4-5-9-18-10-8-13-22-24(18)25(32)28(15-14-23(30)31)26(33)29(22)17-19-16-27(2)21-12-7-6-11-20(19)21/h6-8,10-13,16H,3-5,9,14-15,17H2,1-2H3,(H,30,31)