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

Systemtic Name: octadecyl 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: octadecyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid octadecyl ester IUPAC Name: octadecyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)propionic acid stearyl ester Formula: C27H47NO4 MolecularWeight: 449.66638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C=C1)O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C=C1)O)O)N

InChI

InChI=1S/C27H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-27(31)24(28)21-23-18-19-25(29)26(30)22-23/h18-19,22,24,29-30H,2-17,20-21,28H2,1H3