2-(3,4-dimethoxyphenyl)ethyl 3-[(2-oxidanyl-3-phenoxy-propyl)amino]propanoate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl 3-[(2-oxidanyl-3-phenoxy-propyl)amino]propanoate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl 3-[(2-hydroxy-3-phenoxy-propyl)amino]propanoate CAS Name: 3-[(2-hydroxy-3-phenoxypropyl)amino]propanoic acid 2-(3,4-dimethoxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl 3-[(2-hydroxy-3-phenoxypropyl)amino]propanoate Traditional Name: 3-[(2-hydroxy-3-phenoxy-propyl)amino]propionic acid homoveratryl ester Formula: C22H29NO6 MolecularWeight: 403.46876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCOC(=O)CCNCC(COC2=CC=CC=C2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCOC(=O)CCNCC(COC2=CC=CC=C2)O)OC

InChI

InChI=1S/C22H29NO6/c1-26-20-9-8-17(14-21(20)27-2)11-13-28-22(25)10-12-23-15-18(24)16-29-19-6-4-3-5-7-19/h3-9,14,18,23-24H,10-13,15-16H2,1-2H3