(2-morpholin-4-yl-2-oxidanylidene-ethyl) (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (2-morpholino-2-oxo-ethyl) (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid (2-keto-2-morpholino-ethyl) ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)N2CCOCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)N2CCOCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O4/c1-15-17(20(21)24(22-15)13-16-5-3-2-4-6-16)7-8-19(26)28-14-18(25)23-9-11-27-12-10-23/h2-8H,9-14H2,1H3/b8-7+