5-[3-[bis(carboxymethyl)amino]-5-octadecoxy-phenoxy]pentanoic acid

Systemtic Name: 5-[3-[bis(carboxymethyl)amino]-5-octadecoxy-phenoxy]pentanoic acid Openeye Name: 5-[3-[bis(carboxymethyl)amino]-5-octadecoxy-phenoxy]pentanoic acid CAS Name: 5-[3-[bis(carboxymethyl)amino]-5-octadecoxyphenoxy]pentanoic acid IUPAC Name: 5-[3-[bis(carboxymethyl)amino]-5-octadecoxyphenoxy]pentanoic acid Traditional Name: 5-[3-[bis(carboxymethyl)amino]-5-stearyloxy-phenoxy]valeric acid Formula: C33H55NO8 MolecularWeight: 593.7917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H55NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-41-29-23-28(34(26-32(37)38)27-33(39)40)24-30(25-29)42-22-19-17-20-31(35)36/h23-25H,2-22,26-27H2,1H3,(H,35,36)(H,37,38)(H,39,40)