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

Systemtic Name: 3-[4-[4-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]-3-phenylmethoxy-phenyl]propanoic acid Openeye Name: 3-[3-benzyloxy-4-[4-[heptylcarbamoyl(methyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 3-[4-[4-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]-3-phenylmethoxyphenyl]propanoic acid IUPAC Name: 3-[4-[4-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]-3-phenylmethoxyphenyl]propanoic acid Traditional Name: 3-[3-benzoxy-4-[4-[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(=NC=C1)C2=C(C=C(C=C2)CCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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