3-methylbutyl 4-[2-[4-(4-methylphenyl)phenoxy]ethanoylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[2-[4-(4-methylphenyl)phenoxy]ethanoylamino]benzoate Openeye Name: isopentyl 4-[[2-[4-(p-tolyl)phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-methylphenyl)phenoxy]-1-oxoethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(p-tolyl)phenoxy]acetyl]amino]benzoic acid isoamyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C(=O)OCCC(C)C

InChI

InChI=1S/C27H29NO4/c1-19(2)16-17-31-27(30)23-8-12-24(13-9-23)28-26(29)18-32-25-14-10-22(11-15-25)21-6-4-20(3)5-7-21/h4-15,19H,16-18H2,1-3H3,(H,28,29)