2-[carboxymethyl-[3-[(E)-octadec-9-enoxy]phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3-[(E)-octadec-9-enoxy]phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-[(E)-octadec-9-enoxy]anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-[(E)-octadec-9-enoxy]anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-[(E)-octadec-9-enoxy]anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-[(E)-octadec-9-enoxy]anilino]acetic acid Formula: C28H45NO5 MolecularWeight: 475.6606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC1=CC=CC(=C1)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC1=CC=CC(=C1)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C28H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-26-20-18-19-25(22-26)29(23-27(30)31)24-28(32)33/h9-10,18-20,22H,2-8,11-17,21,23-24H2,1H3,(H,30,31)(H,32,33)/b10-9+