ethyl 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]pentanoate

Systemtic Name: ethyl 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]pentanoate Openeye Name: ethyl 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]pentanoate CAS Name: 2-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]pentanoate Traditional Name: 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]valeric acid ethyl ester Formula: C28H40N2O3 MolecularWeight: 452.6288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C(CCC)C(=O)OCC

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C(CCC)C(=O)OCC

InChI

InChI=1S/C28H40N2O3/c1-5-8-9-10-11-20-29-28(32)30(4)25-15-12-14-24(21-25)22-16-18-23(19-17-22)26(13-6-2)27(31)33-7-3/h12,14-19,21,26H,5-11,13,20H2,1-4H3,(H,29,32)