ethyl 4-[3-(6-methylheptan-2-ylamino)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-(6-methylheptan-2-ylamino)-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-(1,5-dimethylhexylamino)-2-hydroxy-propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(6-methylheptan-2-ylamino)propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-hydroxy-3-(6-methylheptan-2-ylamino)propoxy]benzoate Traditional Name: 4-[3-(1,5-dimethylhexylamino)-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C20H33NO4 MolecularWeight: 351.48032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CNC(C)CCCC(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CNC(C)CCCC(C)C)O

InChI

InChI=1S/C20H33NO4/c1-5-24-20(23)17-9-11-19(12-10-17)25-14-18(22)13-21-16(4)8-6-7-15(2)3/h9-12,15-16,18,21-22H,5-8,13-14H2,1-4H3