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

Systemtic Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-phenylmethoxy-phenyl]propanoic acid Openeye Name: 3-[3-benzyloxy-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]-3-phenylmethoxyphenyl]propanoic acid IUPAC Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-phenylmethoxyphenyl]propanoic acid Traditional Name: 3-[3-benzoxy-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propionic acid Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H38N2O4/c1-3-4-5-6-10-20-32-31(36)33(2)27-15-11-14-26(22-27)28-18-16-24(17-19-30(34)35)21-29(28)37-23-25-12-8-7-9-13-25/h7-9,11-16,18,21-22H,3-6,10,17,19-20,23H2,1-2H3,(H,32,36)(H,34,35)