methyl (11E)-11-[4-(dimethylamino)butylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl (11E)-11-[4-(dimethylamino)butylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11E)-11-[4-(dimethylamino)butylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[4-(dimethylamino)butylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11E)-11-[4-(dimethylamino)butylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[4-(dimethylamino)butylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C)CCC/C=C/1\C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25NO3/c1-23(2)13-7-6-10-19-18-9-5-4-8-17(18)15-26-21-12-11-16(14-20(19)21)22(24)25-3/h4-5,8-12,14H,6-7,13,15H2,1-3H3/b19-10+