[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c1-15-7-11-19(29-15)22-16(13-25(24-22)18-5-3-2-4-6-18)8-12-21(27)28-14-20(26)23-17-9-10-17/h2-8,11-13,17H,9-10,14H2,1H3,(H,23,26)