methyl (E,2S,5S)-2-methyl-5-(phenylmethoxycarbonylamino)hex-3-enoate

Systemtic Name: methyl (E,2S,5S)-2-methyl-5-(phenylmethoxycarbonylamino)hex-3-enoate Openeye Name: methyl (E,2S,5S)-5-(benzyloxycarbonylamino)-2-methyl-hex-3-enoate CAS Name: (E,2S,5S)-2-methyl-5-(phenylmethoxycarbonylamino)-3-hexenoic acid methyl ester IUPAC Name: methyl (E,2S,5S)-2-methyl-5-(phenylmethoxycarbonylamino)hex-3-enoate Traditional Name: (E,2S,5S)-5-(benzyloxycarbonylamino)-2-methyl-hex-3-enoic acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-12(15(18)20-3)9-10-13(2)17-16(19)21-11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,17,19)/b10-9+/t12-,13-/m0/s1