methyl (E,4S,5R)-4-[methyl-(phenylmethyl)amino]-5-oxidanyl-hex-2-enoate

Systemtic Name: methyl (E,4S,5R)-4-[methyl-(phenylmethyl)amino]-5-oxidanyl-hex-2-enoate Openeye Name: methyl (E,4S,5R)-4-[benzyl(methyl)amino]-5-hydroxy-hex-2-enoate CAS Name: (E,4S,5R)-5-hydroxy-4-[methyl-(phenylmethyl)amino]-2-hexenoic acid methyl ester IUPAC Name: methyl (E,4S,5R)-4-[benzyl(methyl)amino]-5-hydroxyhex-2-enoate Traditional Name: (E,4S,5R)-4-[benzyl(methyl)amino]-5-hydroxy-hex-2-enoic acid methyl ester Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C=CC(=O)OC)N(C)CC1=CC=CC=C1)O

Isomeric SMILES

C[C@H]([C@H](/C=C/C(=O)OC)N(C)CC1=CC=CC=C1)O

InChI

InChI=1S/C15H21NO3/c1-12(17)14(9-10-15(18)19-3)16(2)11-13-7-5-4-6-8-13/h4-10,12,14,17H,11H2,1-3H3/b10-9+/t12-,14+/m1/s1