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

Systemtic Name: 2-[carboxymethyl-(3-octadecoxy-5-pentanoyloxy-phenyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-pentanoyloxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(1-oxopentoxy)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-pentanoyloxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-stearyloxy-5-valeryloxy-anilino]acetic acid Formula: C33H55NO7 MolecularWeight: 577.7923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H55NO7/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-40-29-23-28(34(26-31(35)36)27-32(37)38)24-30(25-29)41-33(39)21-6-4-2/h23-25H,3-22,26-27H2,1-2H3,(H,35,36)(H,37,38)