(Z)-but-2-enedioic acid; 2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: (Z)-but-2-enedioic acid; 2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-benzyl-3,4-dihydro-1H-isoquinoline; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-benzyl-3,4-dihydro-1H-isoquinoline; (Z)-but-2-enedioic acid Traditional Name: 2-benzyl-3,4-dihydro-1H-isoquinoline; maleic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17N.C4H4O4/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17;5-3(6)1-2-4(7)8/h1-9H,10-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1-