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

Systemtic Name: [(2S)-2-phenoxypropyl] (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: [(2S)-2-phenoxypropyl] (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid [(2S)-2-phenoxypropyl] ester IUPAC Name: [(2S)-2-phenoxypropyl] (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid [(2S)-2-phenoxypropyl] ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(CC1=CC(=C(C=C1)O)O)N)OC2=CC=CC=C2

Isomeric SMILES

C[C@@H](COC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N)OC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5/c1-12(24-14-5-3-2-4-6-14)11-23-18(22)15(19)9-13-7-8-16(20)17(21)10-13/h2-8,10,12,15,20-21H,9,11,19H2,1H3/t12-,15-/m0/s1