ethyl (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate; octanoic acid

Systemtic Name: ethyl (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate; octanoic acid Openeye Name: ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate; octanoic acid CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid ethyl ester; octanoic acid IUPAC Name: ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate; octanoic acid Traditional Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid ethyl ester; caprylic acid Formula: C19H31NO6 MolecularWeight: 369.45254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O.CCOC(=O)C(CC1=CC(=C(C=C1)O)O)N

Isomeric SMILES

CCCCCCCC(=O)O.CCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N

InChI

InChI=1S/C11H15NO4.C8H16O2/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7;1-2-3-4-5-6-7-8(9)10/h3-4,6,8,13-14H,2,5,12H2,1H3;2-7H2,1H3,(H,9,10)/t8-;/m0./s1