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

Systemtic Name: 4-[2-(octanoylamino)-3-phenyl-propanoyl]-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: N-benzyl-4-[2-(octanoylamino)-3-phenyl-propanoyl]piperazine-1-carboxamide CAS Name: 4-[1-oxo-2-(1-oxooctylamino)-3-phenylpropyl]-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-benzyl-4-[2-(octanoylamino)-3-phenylpropanoyl]piperazine-1-carboxamide Traditional Name: N-benzyl-4-[2-(caprylylamino)-3-phenyl-propanoyl]piperazine-1-carboxamide Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C29H40N4O3/c1-2-3-4-5-12-17-27(34)31-26(22-24-13-8-6-9-14-24)28(35)32-18-20-33(21-19-32)29(36)30-23-25-15-10-7-11-16-25/h6-11,13-16,26H,2-5,12,17-23H2,1H3,(H,30,36)(H,31,34)