3-[4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid

Systemtic Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid Openeye Name: 2-(2-benzoylanilino)-3-[4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 2-(2-benzoylanilino)-3-[4-[6-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]phenyl]propanoic acid IUPAC Name: 2-(2-benzoylanilino)-3-[4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]phenyl]propanoic acid Traditional Name: 2-(2-benzoylanilino)-3-[4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propionic acid Formula: C36H40N4O4 MolecularWeight: 592.7272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=N1)C2=CC=C(C=C2)CC(C(=O)O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=N1)C2=CC=C(C=C2)CC(C(=O)O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C36H40N4O4/c1-3-4-5-6-12-24-37-36(44)40(2)33-19-13-18-30(39-33)27-22-20-26(21-23-27)25-32(35(42)43)38-31-17-11-10-16-29(31)34(41)28-14-8-7-9-15-28/h7-11,13-23,32,38H,3-6,12,24-25H2,1-2H3,(H,37,44)(H,42,43)