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

Systemtic Name: 2-[carboxymethyl-[2-(3-octadecoxyphenyl)ethanoyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-(3-octadecoxyphenyl)acetyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-(3-octadecoxyphenyl)-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-(3-octadecoxyphenyl)acetyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-(3-stearyloxyphenyl)acetyl]amino]acetic acid Formula: C30H49NO6 MolecularWeight: 519.71316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-37-27-20-18-19-26(22-27)23-28(32)31(24-29(33)34)25-30(35)36/h18-20,22H,2-17,21,23-25H2,1H3,(H,33,34)(H,35,36)