methyl 2-acetamido-3-[(2E)-2-[(3-oxidanylidene-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate

Systemtic Name: methyl 2-acetamido-3-[(2E)-2-[(3-oxidanylidene-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate Openeye Name: methyl 2-acetamido-3-[(2E)-2-[(3-isopropoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylene]indol-3-yl]propanoate CAS Name: 2-acetamido-3-[(2E)-2-[(3-oxo-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(2E)-2-[(3-oxo-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate Traditional Name: 2-acetamido-3-[(2E)-2-[(3-isopropoxy-5-keto-3-pyrazolin-4-yl)methylene]indol-3-yl]propionic acid methyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)NN1)C=C2C(=C3C=CC=CC3=N2)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC(C)OC1=C(C(=O)NN1)/C=C/2\C(=C3C=CC=CC3=N2)CC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C21H24N4O5/c1-11(2)30-20-15(19(27)24-25-20)10-17-14(13-7-5-6-8-16(13)23-17)9-18(21(28)29-4)22-12(3)26/h5-8,10-11,18H,9H2,1-4H3,(H,22,26)(H2,24,25,27)/b17-10+