1-[3-(2,2-dimethylpropanoylamino)phenyl]carbonyl-N-(3-phenylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-(2,2-dimethylpropanoylamino)phenyl]carbonyl-N-(3-phenylpropyl)piperidine-4-carboxamide Openeye Name: 1-[3-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-phenylpropyl)piperidine-4-carboxamide CAS Name: 1-[[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]-N-(3-phenylpropyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-phenylpropyl)piperidine-4-carboxamide Traditional Name: N-(3-phenylpropyl)-1-[3-(pivaloylamino)benzoyl]isonipecotamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O3/c1-27(2,3)26(33)29-23-13-7-12-22(19-23)25(32)30-17-14-21(15-18-30)24(31)28-16-8-11-20-9-5-4-6-10-20/h4-7,9-10,12-13,19,21H,8,11,14-18H2,1-3H3,(H,28,31)(H,29,33)