(Z)-but-2-enedioic acid; 1-phenethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

Systemtic Name: (Z)-but-2-enedioic acid; 1-phenethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine Openeye Name: maleic acid; 1-phenethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine CAS Name: (Z)-2-butenedioic acid; 1-phenethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine IUPAC Name: (Z)-but-2-enedioic acid; 1-phenethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine Traditional Name: maleic acid; 1-phenethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C=CC=C2C(N1)CCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN2C=CC=C2C(N1)CCC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H18N2.C4H4O4/c1-2-5-13(6-3-1)8-9-14-15-7-4-11-17(15)12-10-16-14;5-3(6)1-2-4(7)8/h1-7,11,14,16H,8-10,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-