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

Systemtic Name: 3-[(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]oxypropyl benzoate Openeye Name: 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropyl ester Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6/c20-15(11-13-7-8-16(21)17(22)12-13)19(24)26-10-4-9-25-18(23)14-5-2-1-3-6-14/h1-3,5-8,12,15,21-22H,4,9-11,20H2/t15-/m0/s1