3-[4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]-3-phenylmethoxy-phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]-3-phenylmethoxy-phenyl]propanoic acid Openeye Name: 3-[3-benzyloxy-4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(heptylamino)-oxomethyl]-methylamino]-4-pyrimidinyl]-3-phenylmethoxyphenyl]propanoic acid IUPAC Name: 3-[4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]-3-phenylmethoxyphenyl]propanoic acid Traditional Name: 3-[3-benzoxy-4-[2-[heptylcarbamoyl(methyl)amino]pyrimidin-4-yl]phenyl]propionic acid Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=NC=CC(=N1)C2=C(C=C(C=C2)CCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=NC=CC(=N1)C2=C(C=C(C=C2)CCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H36N4O4/c1-3-4-5-6-10-18-31-29(36)33(2)28-30-19-17-25(32-28)24-15-13-22(14-16-27(34)35)20-26(24)37-21-23-11-8-7-9-12-23/h7-9,11-13,15,17,19-20H,3-6,10,14,16,18,21H2,1-2H3,(H,31,36)(H,34,35)