2-[carboxymethyl-[3-(5-methoxy-5-oxidanylidene-pentoxy)-5-octadecoxy-phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3-(5-methoxy-5-oxidanylidene-pentoxy)-5-octadecoxy-phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-(5-methoxy-5-oxo-pentoxy)-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-(5-methoxy-5-oxopentoxy)-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-(5-methoxy-5-oxopentoxy)-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-(5-keto-5-methoxy-pentoxy)-5-stearyloxy-anilino]acetic acid Formula: C34H57NO8 MolecularWeight: 607.81828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H57NO8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-42-30-24-29(35(27-32(36)37)28-33(38)39)25-31(26-30)43-23-20-18-21-34(40)41-2/h24-26H,3-23,27-28H2,1-2H3,(H,36,37)(H,38,39)