2-[(5-octadecoxy-2-oxidanyl-phenyl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(5-octadecoxy-2-oxidanyl-phenyl)carbonylamino]ethanoic acid Openeye Name: 2-[(2-hydroxy-5-octadecoxy-benzoyl)amino]acetic acid CAS Name: 2-[[(2-hydroxy-5-octadecoxyphenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(2-hydroxy-5-octadecoxybenzoyl)amino]acetic acid Traditional Name: 2-[(2-hydroxy-5-stearyloxy-benzoyl)amino]acetic acid Formula: C27H45NO5 MolecularWeight: 463.6499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)O)C(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)O)C(=O)NCC(=O)O

InChI

InChI=1S/C27H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-23-18-19-25(29)24(21-23)27(32)28-22-26(30)31/h18-19,21,29H,2-17,20,22H2,1H3,(H,28,32)(H,30,31)