tert-butyl 3-[[3-(1H-indol-3-yl)-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-(1H-indol-3-yl)-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[3-anilino-4-(1H-indol-3-yl)-2,5-dioxo-pyrrol-1-yl]methyl]piperidine-1-carboxylate CAS Name: 3-[[3-anilino-4-(1H-indol-3-yl)-2,5-dioxo-1-pyrrolyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-anilino-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 3-[[3-anilino-4-(1H-indol-3-yl)-2,5-diketo-3-pyrrolin-1-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CN2C(=O)C(=C(C2=O)NC3=CC=CC=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CN2C(=O)C(=C(C2=O)NC3=CC=CC=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H32N4O4/c1-29(2,3)37-28(36)32-15-9-10-19(17-32)18-33-26(34)24(22-16-30-23-14-8-7-13-21(22)23)25(27(33)35)31-20-11-5-4-6-12-20/h4-8,11-14,16,19,30-31H,9-10,15,17-18H2,1-3H3