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

Systemtic Name: ethyl 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]benzoate Openeye Name: ethyl 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]benzoate CAS Name: 2-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]benzoate Traditional Name: 2-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]benzoic acid ethyl ester Formula: C30H36N2O3 MolecularWeight: 472.61844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC

InChI

InChI=1S/C30H36N2O3/c1-4-6-7-8-11-21-31-30(34)32(3)26-14-12-13-25(22-26)23-17-19-24(20-18-23)27-15-9-10-16-28(27)29(33)35-5-2/h9-10,12-20,22H,4-8,11,21H2,1-3H3,(H,31,34)