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

Systemtic Name: methyl 2-acetamido-3-[(2E)-2-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate Openeye Name: methyl 2-acetamido-3-[(2E)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylene]indol-3-yl]propanoate CAS Name: 2-acetamido-3-[(2E)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(2E)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate Traditional Name: 2-acetamido-3-[(2E)-2-[(3-keto-5-phenethyl-3-pyrazolin-4-yl)methylene]indol-3-yl]propionic acid methyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C2C=CC=CC2=NC1=CC3=C(NNC3=O)CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC\1=C2C=CC=CC2=N/C1=C/C3=C(NNC3=O)CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H26N4O4/c1-16(31)27-24(26(33)34-2)14-19-18-10-6-7-11-21(18)28-23(19)15-20-22(29-30-25(20)32)13-12-17-8-4-3-5-9-17/h3-11,15,24H,12-14H2,1-2H3,(H,27,31)(H2,29,30,32)/b23-15+