methyl 4-[[1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H31N3O5/c1-23(2,3)26-14-17(13-19(26)27)21(29)25-11-9-15(10-12-25)20(28)24-18-7-5-16(6-8-18)22(30)31-4/h5-8,15,17H,9-14H2,1-4H3,(H,24,28)