3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-pentanoyloxy-propanoic acid

Systemtic Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-pentanoyloxy-propanoic acid Openeye Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-pentanoyloxy-propanoic acid CAS Name: 3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]-2-(1-oxopentoxy)propanoic acid IUPAC Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-pentanoyloxypropanoic acid Traditional Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-valeryloxy-propionic acid Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)OC(=O)CCCC

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)OC(=O)CCCC

InChI

InChI=1S/C29H40N2O5/c1-4-6-8-9-10-19-30-29(35)31(3)25-13-11-12-24(21-25)23-17-15-22(16-18-23)20-26(28(33)34)36-27(32)14-7-5-2/h11-13,15-18,21,26H,4-10,14,19-20H2,1-3H3,(H,30,35)(H,33,34)