ethyl 4-[3-[tert-butyl-(5-cyano-1H-indol-3-yl)amino]-2-oxidanyl-propoxy]-1H-indole-2-carboxylate

Systemtic Name: ethyl 4-[3-[tert-butyl-(5-cyano-1H-indol-3-yl)amino]-2-oxidanyl-propoxy]-1H-indole-2-carboxylate Openeye Name: ethyl 4-[3-[tert-butyl-(5-cyano-1H-indol-3-yl)amino]-2-hydroxy-propoxy]-1H-indole-2-carboxylate CAS Name: 4-[3-[tert-butyl-(5-cyano-1H-indol-3-yl)amino]-2-hydroxypropoxy]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[tert-butyl-(5-cyano-1H-indol-3-yl)amino]-2-hydroxypropoxy]-1H-indole-2-carboxylate Traditional Name: 4-[3-[tert-butyl-(5-cyano-1H-indol-3-yl)amino]-2-hydroxy-propoxy]-1H-indole-2-carboxylic acid ethyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC=C2OCC(CN(C3=CNC4=C3C=C(C=C4)C#N)C(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC=C2OCC(CN(C3=CNC4=C3C=C(C=C4)C#N)C(C)(C)C)O

InChI

InChI=1S/C27H30N4O4/c1-5-34-26(33)23-12-20-22(30-23)7-6-8-25(20)35-16-18(32)15-31(27(2,3)4)24-14-29-21-10-9-17(13-28)11-19(21)24/h6-12,14,18,29-30,32H,5,15-16H2,1-4H3