N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methyl-prop-2-yn-1-amine; (Z)-but-2-enedioic acid

Systemtic Name: N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methyl-prop-2-yn-1-amine; (Z)-but-2-enedioic acid Openeye Name: N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methyl-prop-2-yn-1-amine; maleic acid CAS Name: N-(5-benzo[b][1]benzoxepinylmethyl)-N-methyl-2-propyn-1-amine; (Z)-2-butenedioic acid IUPAC Name: N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methylprop-2-yn-1-amine; (Z)-but-2-enedioic acid Traditional Name: benzo[b][1]benzoxepin-5-ylmethyl-methyl-propargyl-amine; maleic acid Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#C)CC1=CC2=CC=CC=C2OC3=CC=CC=C31.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CC#C)CC1=CC2=CC=CC=C2OC3=CC=CC=C31.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H17NO.C4H4O4/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19;5-3(6)1-2-4(7)8/h1,4-11,13H,12,14H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-