3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methyl-cyclobutan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methyl-cyclobutan-1-amine; (E)-but-2-enedioic acid Openeye Name: 3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methyl-cyclobutanamine; fumaric acid CAS Name: 3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methyl-1-cyclobutanamine; (E)-2-butenedioic acid IUPAC Name: 3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methylcyclobutan-1-amine; (E)-but-2-enedioic acid Traditional Name: [3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methyl-cyclobutyl]amine; fumaric acid Formula: C40H44N4O6 MolecularWeight: 676.80056

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C18H20N2O.C4H4O4/c2*1-18(10-14(19)11-18)20-15-7-3-2-6-13(15)12-21-17-9-5-4-8-16(17)20;5-3(6)1-2-4(7)8/h2*2-9,14H,10-12,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+