ethyl (Z)-2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]but-2-enoate

Systemtic Name: ethyl (Z)-2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]but-2-enoate Openeye Name: ethyl (Z)-2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]but-2-enoate CAS Name: (Z)-2-ethoxy-3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]but-2-enoate Traditional Name: (Z)-2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]but-2-enoic acid ethyl ester Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C(=C(C(=O)OCC)OCC)C

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)/C(=C(/C(=O)OCC)\OCC)/C

InChI

InChI=1S/C29H40N2O4/c1-6-9-10-11-12-20-30-29(33)31(5)26-15-13-14-25(21-26)24-18-16-23(17-19-24)22(4)27(34-7-2)28(32)35-8-3/h13-19,21H,6-12,20H2,1-5H3,(H,30,33)/b27-22-