[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C=CC1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N)OC(=O)/C=C/C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O3/c1-12(16(17)21)22-15(20)8-7-14-9-18-19(11-14)10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H2,17,21)/b8-7+/t12-/m0/s1