ethyl (2S)-2-azanyl-3-[4-[4-(ethoxymethyl)-2,6-dimethoxy-phenyl]phenyl]propanoate

Systemtic Name: ethyl (2S)-2-azanyl-3-[4-[4-(ethoxymethyl)-2,6-dimethoxy-phenyl]phenyl]propanoate Openeye Name: ethyl (2S)-2-amino-3-[4-[4-(ethoxymethyl)-2,6-dimethoxy-phenyl]phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-[4-(ethoxymethyl)-2,6-dimethoxy-phenyl]phenyl]propionic acid ethyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)CC(C(=O)OCC)N)OC

Isomeric SMILES

CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)OCC)N)OC

InChI

InChI=1S/C22H29NO5/c1-5-27-14-16-12-19(25-3)21(20(13-16)26-4)17-9-7-15(8-10-17)11-18(23)22(24)28-6-2/h7-10,12-13,18H,5-6,11,14,23H2,1-4H3/t18-/m0/s1