methyl (1S,2S)-2-methoxy-3-[(phenylmethyl)amino]cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S)-2-methoxy-3-[(phenylmethyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S)-3-(benzylamino)-2-methoxy-cyclohexanecarboxylate CAS Name: (1S,2S)-2-methoxy-3-[(phenylmethyl)amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-3-(benzylamino)-2-methoxycyclohexane-1-carboxylate Traditional Name: (1S,2S)-3-(benzylamino)-2-methoxy-cyclohexanecarboxylic acid methyl ester Formula: C16H23NO3 MolecularWeight: 277.35872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(CCCC1NCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CO[C@H]1[C@H](CCCC1NCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H23NO3/c1-19-15-13(16(18)20-2)9-6-10-14(15)17-11-12-7-4-3-5-8-12/h3-5,7-8,13-15,17H,6,9-11H2,1-2H3/t13-,14?,15-/m0/s1