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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (E)-3-[3-(4-ethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-ethyl) (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-ethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]acrylic acid (2-amino-2-keto-ethyl) ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3/c1-2-17-8-10-19(11-9-17)23-20(12-13-22(28)29-16-21(24)27)15-26(25-23)14-18-6-4-3-5-7-18/h3-13,15H,2,14,16H2,1H3,(H2,24,27)/b13-12+