3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-pentoxy-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-pentoxy-phenyl]propanoic acid Openeye Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-pentoxy-phenyl]propanoic acid CAS Name: 3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]-3-pentoxyphenyl]propanoic acid IUPAC Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-pentoxyphenyl]propanoic acid Traditional Name: 3-[3-amoxy-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propionic acid Formula: C29H42N2O4 MolecularWeight: 482.65478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)OCCCCC

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)OCCCCC

InChI

InChI=1S/C29H42N2O4/c1-4-6-8-9-10-19-30-29(34)31(3)25-14-12-13-24(22-25)26-17-15-23(16-18-28(32)33)21-27(26)35-20-11-7-5-2/h12-15,17,21-22H,4-11,16,18-20H2,1-3H3,(H,30,34)(H,32,33)