methyl 3-[(2R)-3-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 3-[(2R)-3-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[(2R)-3-[[(1S)-1,4-dimethylpentyl]amino]-2-hydroxy-propoxy]benzoate CAS Name: 3-[(2R)-2-hydroxy-3-[[(2S)-5-methylhexan-2-yl]amino]propoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxy-3-[[(2S)-5-methylhexan-2-yl]amino]propoxy]benzoate Traditional Name: 3-[(2R)-3-[[(1S)-1,4-dimethylpentyl]amino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C18H29NO4 MolecularWeight: 323.42716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NCC(COC1=CC=CC(=C1)C(=O)OC)O

Isomeric SMILES

C[C@@H](CCC(C)C)NC[C@H](COC1=CC=CC(=C1)C(=O)OC)O

InChI

InChI=1S/C18H29NO4/c1-13(2)8-9-14(3)19-11-16(20)12-23-17-7-5-6-15(10-17)18(21)22-4/h5-7,10,13-14,16,19-20H,8-9,11-12H2,1-4H3/t14-,16+/m0/s1