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

Systemtic Name: tert-butyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(isovalerylamino)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O4/c1-15(2)14-19(26)23-17-6-8-18(9-7-17)24-20(27)16-10-12-25(13-11-16)21(28)29-22(3,4)5/h6-9,15-16H,10-14H2,1-5H3,(H,23,26)(H,24,27)