(phenylmethyl) (E)-3-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-hex-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-hex-2-enoate Openeye Name: benzyl (E)-3-[[1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]carbamoyl]-5-methyl-hex-2-enoate CAS Name: (E)-3-[[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-5-methyl-2-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-5-methylhex-2-enoate Traditional Name: (E)-3-[[2-keto-2-(methylamino)-1-p-anisyl-ethyl]carbamoyl]-5-methyl-hex-2-enoic acid benzyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=CC(=O)OCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)NC

Isomeric SMILES

CC(C)C/C(=C\C(=O)OCC1=CC=CC=C1)/C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)NC

InChI

InChI=1S/C26H32N2O5/c1-18(2)14-21(16-24(29)33-17-20-8-6-5-7-9-20)25(30)28-23(26(31)27-3)15-19-10-12-22(32-4)13-11-19/h5-13,16,18,23H,14-15,17H2,1-4H3,(H,27,31)(H,28,30)/b21-16+