tert-butyl 4-[3-[2,4-dimethyl-5-[(Z)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[2,4-dimethyl-5-[(Z)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[2,4-dimethyl-5-[(Z)-(2-oxoindolin-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[5-[(Z)-(2-ketoindolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C)C=C3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C)/C=C\3/C4=CC=CC=C4NC3=O

InChI

InChI=1S/C27H34N4O4/c1-17-19(10-11-24(32)30-12-14-31(15-13-30)26(34)35-27(3,4)5)18(2)28-23(17)16-21-20-8-6-7-9-22(20)29-25(21)33/h6-9,16,28H,10-15H2,1-5H3,(H,29,33)/b21-16-