2-[2-azanyl-6-[4-[methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-6-[4-[methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[2-amino-6-[4-[benzyl(methyl)amino]-4-oxo-butanoyl]-4H-quinazolin-3-yl]acetic acid CAS Name: 2-[2-amino-6-[4-[methyl-(phenylmethyl)amino]-1,4-dioxobutyl]-4H-quinazolin-3-yl]acetic acid IUPAC Name: 2-[2-amino-6-[4-[benzyl(methyl)amino]-4-oxobutanoyl]-4H-quinazolin-3-yl]acetic acid Traditional Name: 2-[2-amino-6-[4-[benzyl(methyl)amino]-4-keto-butanoyl]-4H-quinazolin-3-yl]acetic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CCC(=O)C2=CC3=C(C=C2)N=C(N(C3)CC(=O)O)N

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CCC(=O)C2=CC3=C(C=C2)N=C(N(C3)CC(=O)O)N

InChI

InChI=1S/C22H24N4O4/c1-25(12-15-5-3-2-4-6-15)20(28)10-9-19(27)16-7-8-18-17(11-16)13-26(14-21(29)30)22(23)24-18/h2-8,11H,9-10,12-14H2,1H3,(H2,23,24)(H,29,30)