3-methylbutyl 4-[(4-hexoxyphenyl)carbonylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[(4-hexoxyphenyl)carbonylamino]benzoate Openeye Name: isopentyl 4-[(4-hexoxybenzoyl)amino]benzoate CAS Name: 4-[[(4-hexoxyphenyl)-oxomethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(4-hexoxybenzoyl)amino]benzoate Traditional Name: 4-[(4-hexoxybenzoyl)amino]benzoic acid isoamyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C

InChI

InChI=1S/C25H33NO4/c1-4-5-6-7-17-29-23-14-10-20(11-15-23)24(27)26-22-12-8-21(9-13-22)25(28)30-18-16-19(2)3/h8-15,19H,4-7,16-18H2,1-3H3,(H,26,27)