(phenylmethyl) 1-[[[4-(2-chloranyl-2-oxidanylidene-ethyl)phenyl]amino]methyl]cyclooctane-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[[[4-(2-chloranyl-2-oxidanylidene-ethyl)phenyl]amino]methyl]cyclooctane-1-carboxylate Openeye Name: benzyl 1-[[4-(2-chloro-2-oxo-ethyl)anilino]methyl]cyclooctanecarboxylate CAS Name: 1-[[4-(2-chloro-2-oxoethyl)anilino]methyl]-1-cyclooctanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[[4-(2-chloro-2-oxoethyl)anilino]methyl]cyclooctane-1-carboxylate Traditional Name: 1-[[4-(2-chloro-2-keto-ethyl)anilino]methyl]cyclooctanecarboxylic acid benzyl ester Formula: C25H30ClNO3 MolecularWeight: 427.9636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)(CNC2=CC=C(C=C2)CC(=O)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)(CNC2=CC=C(C=C2)CC(=O)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30ClNO3/c26-23(28)17-20-11-13-22(14-12-20)27-19-25(15-7-2-1-3-8-16-25)24(29)30-18-21-9-5-4-6-10-21/h4-6,9-14,27H,1-3,7-8,15-19H2