phenethyl 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate

Systemtic Name: phenethyl 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: phenethyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid phenethyl ester IUPAC Name: phenethyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)propionic acid phenethyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C(CC2=CC(=C(C=C2)O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C(CC2=CC(=C(C=C2)O)O)N

InChI

InChI=1S/C17H19NO4/c18-14(10-13-6-7-15(19)16(20)11-13)17(21)22-9-8-12-4-2-1-3-5-12/h1-7,11,14,19-20H,8-10,18H2