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

Systemtic Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]-3-phenylmethoxy-phenyl]propanoic acid Openeye Name: 3-[3-benzyloxy-4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 3-[4-[6-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]-3-phenylmethoxyphenyl]propanoic acid IUPAC Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]-3-phenylmethoxyphenyl]propanoic acid Traditional Name: 3-[3-benzoxy-4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propionic acid Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N3O4/c1-3-4-5-6-10-20-31-30(36)33(2)28-15-11-14-26(32-28)25-18-16-23(17-19-29(34)35)21-27(25)37-22-24-12-8-7-9-13-24/h7-9,11-16,18,21H,3-6,10,17,19-20,22H2,1-2H3,(H,31,36)(H,34,35)