2-[carboxymethyl-(5-octadecoxy-2-oxidanyl-phenyl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(5-octadecoxy-2-oxidanyl-phenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-(2-hydroxy-5-octadecoxy-benzoyl)amino]acetic acid CAS Name: 2-[carboxymethyl-[(2-hydroxy-5-octadecoxyphenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-(2-hydroxy-5-octadecoxybenzoyl)amino]acetic acid Traditional Name: 2-[carboxymethyl-(2-hydroxy-5-stearyloxy-benzoyl)amino]acetic acid Formula: C29H47NO7 MolecularWeight: 521.68598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-37-24-18-19-26(31)25(21-24)29(36)30(22-27(32)33)23-28(34)35/h18-19,21,31H,2-17,20,22-23H2,1H3,(H,32,33)(H,34,35)