[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2CCOC3=CC=CC=C23

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)NC2CCOC3=CC=CC=C23

InChI

InChI=1S/C22H25NO5/c1-15-7-8-16(2)20(13-15)27-12-10-22(25)28-14-21(24)23-18-9-11-26-19-6-4-3-5-17(18)19/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,24)