N-butyl-2-methyl-4-[2-(octanoylamino)-3-phenyl-propanoyl]piperazine-1-carboxamide

Systemtic Name: N-butyl-2-methyl-4-[2-(octanoylamino)-3-phenyl-propanoyl]piperazine-1-carboxamide Openeye Name: N-butyl-2-methyl-4-[2-(octanoylamino)-3-phenyl-propanoyl]piperazine-1-carboxamide CAS Name: N-butyl-2-methyl-4-[1-oxo-2-(1-oxooctylamino)-3-phenylpropyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-2-methyl-4-[2-(octanoylamino)-3-phenylpropanoyl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[2-(caprylylamino)-3-phenyl-propanoyl]-2-methyl-piperazine-1-carboxamide Formula: C27H44N4O3 MolecularWeight: 472.66326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(C(C2)C)C(=O)NCCCC

Isomeric SMILES

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(C(C2)C)C(=O)NCCCC

InChI

InChI=1S/C27H44N4O3/c1-4-6-8-9-13-16-25(32)29-24(20-23-14-11-10-12-15-23)26(33)30-18-19-31(22(3)21-30)27(34)28-17-7-5-2/h10-12,14-15,22,24H,4-9,13,16-21H2,1-3H3,(H,28,34)(H,29,32)