3-[4-[4-[methyl(5-methylhexylcarbamoyl)amino]pyridin-2-yl]-3-phenylmethoxy-phenyl]propanoic acid

Systemtic Name: 3-[4-[4-[methyl(5-methylhexylcarbamoyl)amino]pyridin-2-yl]-3-phenylmethoxy-phenyl]propanoic acid Openeye Name: 3-[3-benzyloxy-4-[4-[methyl(5-methylhexylcarbamoyl)amino]-2-pyridyl]phenyl]propanoic acid CAS Name: 3-[4-[4-[methyl-[(5-methylhexylamino)-oxomethyl]amino]-2-pyridinyl]-3-phenylmethoxyphenyl]propanoic acid IUPAC Name: 3-[4-[4-[methyl(5-methylhexylcarbamoyl)amino]pyridin-2-yl]-3-phenylmethoxyphenyl]propanoic acid Traditional Name: 3-[3-benzoxy-4-[4-[methyl(5-methylhexylcarbamoyl)amino]-2-pyridyl]phenyl]propionic acid Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N3O4/c1-22(2)9-7-8-17-32-30(36)33(3)25-16-18-31-27(20-25)26-14-12-23(13-15-29(34)35)19-28(26)37-21-24-10-5-4-6-11-24/h4-6,10-12,14,16,18-20,22H,7-9,13,15,17,21H2,1-3H3,(H,32,36)(H,34,35)