ethanedioic acid; 1-[(E)-2-phenylprop-1-enyl]isoquinoline

Systemtic Name: ethanedioic acid; 1-[(E)-2-phenylprop-1-enyl]isoquinoline Openeye Name: oxalic acid; 1-[(E)-2-phenylprop-1-enyl]isoquinoline CAS Name: oxalic acid; 1-[(E)-2-phenylprop-1-enyl]isoquinoline IUPAC Name: oxalic acid; 1-[(E)-2-phenylprop-1-enyl]isoquinoline Traditional Name: oxalic acid; 1-[(E)-2-phenylprop-1-enyl]isoquinoline Formula: C20H17NO4 MolecularWeight: 335.35328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=NC=CC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C/C(=C\C1=NC=CC2=CC=CC=C21)/C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H15N.C2H2O4/c1-14(15-7-3-2-4-8-15)13-18-17-10-6-5-9-16(17)11-12-19-18;3-1(4)2(5)6/h2-13H,1H3;(H,3,4)(H,5,6)/b14-13+;