3-[(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]oxypropyl 4-oxidanylbenzoate

Systemtic Name: 3-[(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]oxypropyl 4-oxidanylbenzoate Openeye Name: 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-oxopropoxy]propyl ester IUPAC Name: 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropyl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropyl ester Formula: C19H21NO7 MolecularWeight: 375.37254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCOC(=O)C(CC2=CC(=C(C=C2)O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCOC(=O)[C@H](CC2=CC(=C(C=C2)O)O)N)O

InChI

InChI=1S/C19H21NO7/c20-15(10-12-2-7-16(22)17(23)11-12)19(25)27-9-1-8-26-18(24)13-3-5-14(21)6-4-13/h2-7,11,15,21-23H,1,8-10,20H2/t15-/m0/s1