methyl 2-[(3-chlorophenyl)methyl]-1-(phenylcarbonyl)azocane-2-carboxylate

Systemtic Name: methyl 2-[(3-chlorophenyl)methyl]-1-(phenylcarbonyl)azocane-2-carboxylate Openeye Name: methyl 1-benzoyl-2-[(3-chlorophenyl)methyl]azocane-2-carboxylate CAS Name: 1-benzoyl-2-[(3-chlorophenyl)methyl]-2-azocanecarboxylic acid methyl ester IUPAC Name: methyl 1-benzoyl-2-[(3-chlorophenyl)methyl]azocane-2-carboxylate Traditional Name: 1-benzoyl-2-(3-chlorobenzyl)azocane-2-carboxylic acid methyl ester Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCCN1C(=O)C2=CC=CC=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1(CCCCCCN1C(=O)C2=CC=CC=C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H26ClNO3/c1-28-22(27)23(17-18-10-9-13-20(24)16-18)14-7-2-3-8-15-25(23)21(26)19-11-5-4-6-12-19/h4-6,9-13,16H,2-3,7-8,14-15,17H2,1H3