(phenylmethyl) (2S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2E,4E)-1-oxohexa-2,4-dienyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)NC(C(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

C/C=C/C=C/C(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H23NO3/c1-4-5-7-12-16(20)19-17(14(2)3)18(21)22-13-15-10-8-6-9-11-15/h4-12,14,17H,13H2,1-3H3,(H,19,20)/b5-4+,12-7+/t17-/m0/s1