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

Systemtic Name: 2-[2-azanyl-6-[4-[methyl-(phenylmethyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[2-amino-6-[4-[benzyl(methyl)amino]-4-oxo-butoxy]-4H-quinazolin-3-yl]acetic acid CAS Name: 2-[2-amino-6-[4-[methyl-(phenylmethyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid IUPAC Name: 2-[2-amino-6-[4-[benzyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid Traditional Name: 2-[2-amino-6-[4-[benzyl(methyl)amino]-4-keto-butoxy]-4H-quinazolin-3-yl]acetic acid Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)O)N

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)O)N

InChI

InChI=1S/C22H26N4O4/c1-25(13-16-6-3-2-4-7-16)20(27)8-5-11-30-18-9-10-19-17(12-18)14-26(15-21(28)29)22(23)24-19/h2-4,6-7,9-10,12H,5,8,11,13-15H2,1H3,(H2,23,24)(H,28,29)