methyl 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-oxidanyl-phenyl]propanoate

Systemtic Name: methyl 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-oxidanyl-phenyl]propanoate Openeye Name: methyl 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-hydroxy-phenyl]propanoate CAS Name: 3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]-3-hydroxyphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-hydroxyphenyl]propanoate Traditional Name: 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-hydroxy-phenyl]propionic acid methyl ester 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)OC)O

Isomeric SMILES

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

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(17-23(22)28)13-15-24(29)31-3/h9-12,14,17-18,28H,4-8,13,15-16H2,1-3H3,(H,26,30)