2-[[2-[(3-aminophenyl)methoxy]-5-octadecoxy-phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[(3-aminophenyl)methoxy]-5-octadecoxy-phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[2-[(3-aminophenyl)methoxy]-5-octadecoxy-benzoyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[[2-[(3-aminophenyl)methoxy]-5-octadecoxyphenyl]-oxomethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[2-[(3-aminophenyl)methoxy]-5-octadecoxybenzoyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[2-(3-aminobenzyl)oxy-5-stearyloxy-benzoyl]-(carboxymethyl)amino]acetic acid Formula: C36H54N2O7 MolecularWeight: 626.82316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC2=CC(=CC=C2)N)C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC2=CC(=CC=C2)N)C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C36H54N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-44-31-21-22-33(45-28-29-19-18-20-30(37)24-29)32(25-31)36(43)38(26-34(39)40)27-35(41)42/h18-22,24-25H,2-17,23,26-28,37H2,1H3,(H,39,40)(H,41,42)