ethyl 4-[2-(2,5-dimethylphenoxy)butanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-(2,5-dimethylphenoxy)butanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[2-(2,5-dimethylphenoxy)butanoylamino]-3-methyl-benzoate CAS Name: 4-[[2-(2,5-dimethylphenoxy)-1-oxobutyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,5-dimethylphenoxy)butanoylamino]-3-methylbenzoate Traditional Name: 4-[2-(2,5-dimethylphenoxy)butanoylamino]-3-methyl-benzoic acid ethyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)C(=O)OCC)C)OC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)C(=O)OCC)C)OC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C22H27NO4/c1-6-19(27-20-12-14(3)8-9-15(20)4)21(24)23-18-11-10-17(13-16(18)5)22(25)26-7-2/h8-13,19H,6-7H2,1-5H3,(H,23,24)