2-[(2-methoxy-2-oxidanylidene-ethyl)-[3-(octadecanoylamino)phenyl]amino]ethanoic acid

Systemtic Name: 2-[(2-methoxy-2-oxidanylidene-ethyl)-[3-(octadecanoylamino)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(2-methoxy-2-oxo-ethyl)-3-(octadecanoylamino)anilino]acetic acid CAS Name: 2-[N-(2-methoxy-2-oxoethyl)-3-(1-oxooctadecylamino)anilino]acetic acid IUPAC Name: 2-[N-(2-methoxy-2-oxoethyl)-3-(octadecanoylamino)anilino]acetic acid Traditional Name: 2-(N-(2-keto-2-methoxy-ethyl)-3-stearamido-anilino)acetic acid Formula: C29H48N2O5 MolecularWeight: 504.70182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC=C1)N(CC(=O)O)CC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC=C1)N(CC(=O)O)CC(=O)OC

InChI

InChI=1S/C29H48N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27(32)30-25-19-18-20-26(22-25)31(23-28(33)34)24-29(35)36-2/h18-20,22H,3-17,21,23-24H2,1-2H3,(H,30,32)(H,33,34)