3-[[3-(2-carboxyethyloxy)-4-(hexadecanoylamino)phenyl]amino]-3-oxidanylidene-2-phenoxy-propanoic acid

Systemtic Name: 3-[[3-(2-carboxyethyloxy)-4-(hexadecanoylamino)phenyl]amino]-3-oxidanylidene-2-phenoxy-propanoic acid Openeye Name: 3-[3-(2-carboxyethyloxy)-4-(hexadecanoylamino)anilino]-3-oxo-2-phenoxy-propanoic acid CAS Name: 3-[3-(2-carboxyethyloxy)-4-(1-oxohexadecylamino)anilino]-3-oxo-2-phenoxypropanoic acid IUPAC Name: 3-[3-(2-carboxyethyloxy)-4-(hexadecanoylamino)anilino]-3-oxo-2-phenoxypropanoic acid Traditional Name: 3-[3-(2-carboxyethyloxy)-4-palmitamido-anilino]-3-keto-2-phenoxy-propionic acid Formula: C34H48N2O8 MolecularWeight: 612.75352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C(C(=O)O)OC2=CC=CC=C2)OCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C(C(=O)O)OC2=CC=CC=C2)OCCC(=O)O

InChI

InChI=1S/C34H48N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-30(37)36-28-22-21-26(25-29(28)43-24-23-31(38)39)35-33(40)32(34(41)42)44-27-18-15-14-16-19-27/h14-16,18-19,21-22,25,32H,2-13,17,20,23-24H2,1H3,(H,35,40)(H,36,37)(H,38,39)(H,41,42)