11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile; ethanedioic acid

Systemtic Name: 11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile; ethanedioic acid Openeye Name: 11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile; oxalic acid CAS Name: 11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepin-11-carbonitrile; oxalic acid IUPAC Name: 11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile; oxalic acid Traditional Name: 11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepin-11-carbonitrile; oxalic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(C2=CC=CC=C2COC3=CC=CC=C31)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCC1(C2=CC=CC=C2COC3=CC=CC=C31)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2O.C2H2O4/c1-3-23(4-2)14-13-21(16-22)18-10-6-5-9-17(18)15-24-20-12-8-7-11-19(20)21;3-1(4)2(5)6/h5-12H,3-4,13-15H2,1-2H3;(H,3,4)(H,5,6)