2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline; 2-oxidanylbutanedioic acid

Systemtic Name: 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline; 2-oxidanylbutanedioic acid Openeye Name: 2-hydroxybutanedioic acid; 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline CAS Name: 2-hydroxybutanedioic acid; 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline IUPAC Name: 2-hydroxybutanedioic acid; 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline Traditional Name: malic acid; 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C3=NC4=CC=CC=C4C=N3.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C3=NC4=CC=CC=C4C=N3.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C18H17N3.C4H6O5/c1-13-16-8-4-2-6-14(16)10-11-21(13)18-19-12-15-7-3-5-9-17(15)20-18;5-2(4(8)9)1-3(6)7/h2-9,12-13H,10-11H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)