2-[carboxymethyl-[3-(2-octadecoxyphenyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3-(2-octadecoxyphenyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[3-(2-octadecoxyphenyl)propanoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[3-(2-octadecoxyphenyl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[3-(2-octadecoxyphenyl)propanoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[3-(2-stearyloxyphenyl)propanoyl]amino]acetic acid Formula: C31H51NO6 MolecularWeight: 533.73974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CCC(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CCC(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C31H51NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-38-28-21-18-17-20-27(28)22-23-29(33)32(25-30(34)35)26-31(36)37/h17-18,20-21H,2-16,19,22-26H2,1H3,(H,34,35)(H,36,37)