2-azanyl-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-azanyl-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-(2-octadecoxyphenyl)-3-oxo-propanoic acid CAS Name: 2-amino-3-(2-octadecoxyphenyl)-3-oxopropanoic acid IUPAC Name: 2-amino-3-(2-octadecoxyphenyl)-3-oxopropanoic acid Traditional Name: 2-amino-3-keto-3-(2-stearyloxyphenyl)propionic acid Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)O)N

InChI

InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-24-21-18-17-20-23(24)26(29)25(28)27(30)31/h17-18,20-21,25H,2-16,19,22,28H2,1H3,(H,30,31)