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

Systemtic Name: 3-[(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]oxypropyl 4-methoxybenzoate Openeye Name: 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropyl ester Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCCCOC(=O)C(CC2=CC(=C(C=C2)O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCCCOC(=O)[C@H](CC2=CC(=C(C=C2)O)O)N

InChI

InChI=1S/C20H23NO7/c1-26-15-6-4-14(5-7-15)19(24)27-9-2-10-28-20(25)16(21)11-13-3-8-17(22)18(23)12-13/h3-8,12,16,22-23H,2,9-11,21H2,1H3/t16-/m0/s1