tert-butyl 4-[2-[[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methylcarbamoyl]phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methylcarbamoyl]phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methylcarbamoyl]phenyl]piperidine-1-carboxylate CAS Name: 4-[2-[oxo-[[2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]methylamino]methyl]phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methylcarbamoyl]phenyl]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]methylcarbamoyl]phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=CC=C2C(=O)NCC3CCN(C3=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=CC=C2C(=O)NCC3CCN(C3=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C31H41N3O4/c1-31(2,3)38-30(37)34-20-15-24(16-21-34)26-13-7-8-14-27(26)28(35)32-22-25-17-19-33(29(25)36)18-9-12-23-10-5-4-6-11-23/h4-8,10-11,13-14,24-25H,9,12,15-22H2,1-3H3,(H,32,35)