methyl (2R)-2-(naphthalen-2-ylmethyl)-1-(phenylcarbonyl)azocane-2-carboxylate

Systemtic Name: methyl (2R)-2-(naphthalen-2-ylmethyl)-1-(phenylcarbonyl)azocane-2-carboxylate Openeye Name: methyl (2R)-1-benzoyl-2-(2-naphthylmethyl)azocane-2-carboxylate CAS Name: (2R)-1-benzoyl-2-(2-naphthalenylmethyl)-2-azocanecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-benzoyl-2-(naphthalen-2-ylmethyl)azocane-2-carboxylate Traditional Name: (2R)-1-benzoyl-2-(2-naphthylmethyl)azocane-2-carboxylic acid methyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCCN1C(=O)C2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)[C@@]1(CCCCCCN1C(=O)C2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H29NO3/c1-31-26(30)27(20-21-15-16-22-11-7-8-14-24(22)19-21)17-9-2-3-10-18-28(27)25(29)23-12-5-4-6-13-23/h4-8,11-16,19H,2-3,9-10,17-18,20H2,1H3/t27-/m1/s1