2-[(3-octadecoxyphenyl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(3-octadecoxyphenyl)carbonylamino]ethanoic acid Openeye Name: 2-[(3-octadecoxybenzoyl)amino]acetic acid CAS Name: 2-[[(3-octadecoxyphenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(3-octadecoxybenzoyl)amino]acetic acid Traditional Name: 2-[(3-stearyloxybenzoyl)amino]acetic acid Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-25-20-18-19-24(22-25)27(31)28-23-26(29)30/h18-20,22H,2-17,21,23H2,1H3,(H,28,31)(H,29,30)