methyl 2-(2-chloranyl-5-ethanoyl-11,12-dihydro-6H-benzo[c][1]benzazocin-8-yl)benzoate

Systemtic Name: methyl 2-(2-chloranyl-5-ethanoyl-11,12-dihydro-6H-benzo[c][1]benzazocin-8-yl)benzoate Openeye Name: methyl 2-(5-acetyl-2-chloro-11,12-dihydro-6H-benzo[c][1]benzazocin-8-yl)benzoate CAS Name: 2-(5-acetyl-2-chloro-11,12-dihydro-6H-benzo[c][1]benzazocin-8-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(5-acetyl-2-chloro-11,12-dihydro-6H-benzo[c][1]benzazocin-8-yl)benzoate Traditional Name: 2-(5-acetyl-2-chloro-11,12-dihydro-6H-benzo[c][1]benzazocin-8-yl)benzoic acid methyl ester Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(CCC3=C1C=CC(=C3)Cl)C=CC(=C2)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC(=O)N1CC2=C(CCC3=C1C=CC(=C3)Cl)C=CC(=C2)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H22ClNO3/c1-16(28)27-15-20-13-18(22-5-3-4-6-23(22)25(29)30-2)9-7-17(20)8-10-19-14-21(26)11-12-24(19)27/h3-7,9,11-14H,8,10,15H2,1-2H3