3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol; 2-oxidanylbutanedioic acid

Systemtic Name: 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol; 2-oxidanylbutanedioic acid Openeye Name: 2-hydroxybutanedioic acid; 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)vinyl]phenol CAS Name: 2-hydroxybutanedioic acid; 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol IUPAC Name: 2-hydroxybutanedioic acid; 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol Traditional Name: malic acid; 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)vinyl]phenol Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN=C1C=CC2=CC(=CC=C2)O.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CN1CCCN=C1/C=C/C2=CC(=CC=C2)O.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C13H16N2O.C4H6O5/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11;5-2(4(8)9)1-3(6)7/h2,4-7,10,16H,3,8-9H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)/b7-6+;