ethanedioic acid; 11-(3-pyrrolidin-1-ylpropyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile

Systemtic Name: ethanedioic acid; 11-(3-pyrrolidin-1-ylpropyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile Openeye Name: oxalic acid; 11-(3-pyrrolidin-1-ylpropyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile CAS Name: oxalic acid; 11-[3-(1-pyrrolidinyl)propyl]-6H-benzo[c][1]benzoxepin-11-carbonitrile IUPAC Name: oxalic acid; 11-(3-pyrrolidin-1-ylpropyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile Traditional Name: oxalic acid; 11-(3-pyrrolidinopropyl)-6H-benzo[c][1]benzoxepin-11-carbonitrile Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCC2(C3=CC=CC=C3COC4=CC=CC=C42)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCCC2(C3=CC=CC=C3COC4=CC=CC=C42)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H24N2O.C2H2O4/c23-17-22(12-7-15-24-13-5-6-14-24)19-9-2-1-8-18(19)16-25-21-11-4-3-10-20(21)22;3-1(4)2(5)6/h1-4,8-11H,5-7,12-16H2;(H,3,4)(H,5,6)