3-chloranyl-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepine-11-carboxylic acid

Systemtic Name: 3-chloranyl-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepine-11-carboxylic acid Openeye Name: 3-chloro-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepine-11-carboxylic acid CAS Name: 3-chloro-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepin-11-carboxylic acid IUPAC Name: 3-chloro-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepine-11-carboxylic acid Traditional Name: 3-chloro-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzoxepin-11-carboxylic acid Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(C2=C(C=C(C=C2)Cl)OCC3=CC=CC=C31)C(=O)O

Isomeric SMILES

CCN(CC)CCC1(C2=C(C=C(C=C2)Cl)OCC3=CC=CC=C31)C(=O)O

InChI

InChI=1S/C21H24ClNO3/c1-3-23(4-2)12-11-21(20(24)25)17-8-6-5-7-15(17)14-26-19-13-16(22)9-10-18(19)21/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,25)