tert-butyl 4-[[3-(propylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(propylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(propylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[3-[oxo(propylamino)methyl]anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(propylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(propylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-5-11-22-18(25)16-7-6-8-17(14-16)23-19(26)15-9-12-24(13-10-15)20(27)28-21(2,3)4/h6-8,14-15H,5,9-13H2,1-4H3,(H,22,25)(H,23,26)