(E)-3-[4-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]prop-2-enoate Openeye Name: (E)-3-[4-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]oxyphenyl]-2-propenoate IUPAC Name: (E)-3-[4-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethoxy]phenyl]acrylate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC1=CC=C(C=C1)C=CC(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC1=CC=C(C=C1)/C=C/C(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-11(2)10-17-16(20)12(3)21-14-7-4-13(5-8-14)6-9-15(18)19/h4-9,11-12H,10H2,1-3H3,(H,17,20)(H,18,19)/p-1/b9-6+/t12-/m0/s1