11-(2-diethylaminoethylimino)-6H-benzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-(2-diethylaminoethylimino)-6H-benzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-(2-diethylaminoethylimino)-6H-benzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-(2-diethylaminoethylimino)-6H-benzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-(2-diethylaminoethylimino)-6H-benzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-(2-diethylaminoethylimino)-6H-benzo[c][1]benzoxepin-2-carboxylic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN=C1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC)CCN=C1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)O

InChI

InChI=1S/C21H24N2O3/c1-3-23(4-2)12-11-22-20-17-8-6-5-7-16(17)14-26-19-10-9-15(21(24)25)13-18(19)20/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,25)