pentyl 4-[4-(2,5-dimethylphenoxy)butanoylamino]benzoate

Systemtic Name: pentyl 4-[4-(2,5-dimethylphenoxy)butanoylamino]benzoate Openeye Name: pentyl 4-[4-(2,5-dimethylphenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(2,5-dimethylphenoxy)-1-oxobutyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[4-(2,5-dimethylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(2,5-dimethylphenoxy)butanoylamino]benzoic acid amyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCOC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCOC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C24H31NO4/c1-4-5-6-15-29-24(27)20-11-13-21(14-12-20)25-23(26)8-7-16-28-22-17-18(2)9-10-19(22)3/h9-14,17H,4-8,15-16H2,1-3H3,(H,25,26)