ethyl (1R,2S)-2-oxidanyl-1-[3-[(phenylmethyl)amino]propyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S)-2-oxidanyl-1-[3-[(phenylmethyl)amino]propyl]cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S)-1-[3-(benzylamino)propyl]-2-hydroxy-cyclohexanecarboxylate CAS Name: (1R,2S)-2-hydroxy-1-[3-[(phenylmethyl)amino]propyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-1-[3-(benzylamino)propyl]-2-hydroxycyclohexane-1-carboxylate Traditional Name: (1R,2S)-1-[3-(benzylamino)propyl]-2-hydroxy-cyclohexanecarboxylic acid ethyl ester Formula: C19H29NO3 MolecularWeight: 319.43846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1O)CCCNCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@]1(CCCC[C@@H]1O)CCCNCC2=CC=CC=C2

InChI

InChI=1S/C19H29NO3/c1-2-23-18(22)19(12-7-6-11-17(19)21)13-8-14-20-15-16-9-4-3-5-10-16/h3-5,9-10,17,20-21H,2,6-8,11-15H2,1H3/t17-,19+/m0/s1