(Z)-but-2-enedioic acid; 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: (Z)-but-2-enedioic acid; 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-allyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol; maleic acid CAS Name: (Z)-2-butenedioic acid; 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: (Z)-but-2-enedioic acid; 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-allyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol; maleic acid Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21NO2.C4H4O4/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14;5-3(6)1-2-4(7)8/h2-7,11-12,17,21-22H,1,8-10,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1-