2-[(3-azanyl-5-octadecoxy-phenyl)carbonyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[(3-azanyl-5-octadecoxy-phenyl)carbonyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[(3-amino-5-octadecoxy-benzoyl)-(carboxymethyl)amino]acetic acid CAS Name: 2-[[(3-amino-5-octadecoxyphenyl)-oxomethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[(3-amino-5-octadecoxybenzoyl)-(carboxymethyl)amino]acetic acid Traditional Name: 2-[(3-amino-5-stearyloxy-benzoyl)-(carboxymethyl)amino]acetic acid Formula: C29H48N2O6 MolecularWeight: 520.70122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-37-26-20-24(19-25(30)21-26)29(36)31(22-27(32)33)23-28(34)35/h19-21H,2-18,22-23,30H2,1H3,(H,32,33)(H,34,35)