[(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1R)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [(1R)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@@H](C)OC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3/c1-17-7-6-10-21(13-17)25-23(28)18(2)29-22(27)12-11-20-14-24-26(16-20)15-19-8-4-3-5-9-19/h3-14,16,18H,15H2,1-2H3,(H,25,28)/b12-11+/t18-/m1/s1