tert-butyl 5-methoxy-3-(3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-ynyl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-methoxy-3-(3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-ynyl)indole-1-carboxylate Openeye Name: tert-butyl 5-methoxy-3-(3-oxo-3-pyrrolidin-1-yl-prop-1-ynyl)indole-1-carboxylate CAS Name: 5-methoxy-3-[3-oxo-3-(1-pyrrolidinyl)prop-1-ynyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methoxy-3-(3-oxo-3-pyrrolidin-1-ylprop-1-ynyl)indole-1-carboxylate Traditional Name: 3-(3-keto-3-pyrrolidino-prop-1-ynyl)-5-methoxy-indole-1-carboxylic acid tert-butyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OC)C#CC(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OC)C#CC(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O4/c1-21(2,3)27-20(25)23-14-15(7-10-19(24)22-11-5-6-12-22)17-13-16(26-4)8-9-18(17)23/h8-9,13-14H,5-6,11-12H2,1-4H3