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

Systemtic Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-methoxy-phenyl]propanoic acid Openeye Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-methoxy-phenyl]propanoic acid CAS Name: 3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]-3-methoxyphenyl]propanoic acid IUPAC Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-methoxyphenyl]propanoic acid Traditional Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-methoxy-phenyl]propionic acid Formula: C25H34N2O4 MolecularWeight: 426.54846

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4/c1-4-5-6-7-8-16-26-25(30)27(2)21-11-9-10-20(18-21)22-14-12-19(13-15-24(28)29)17-23(22)31-3/h9-12,14,17-18H,4-8,13,15-16H2,1-3H3,(H,26,30)(H,28,29)