(3S)-1-(2-benzamidoethanoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-benzamidoethanoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-benzamidoacetyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-benzamido-1-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-benzamidoacetyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-N-(2,4-dichlorobenzyl)-1-hippuroyl-nipecotamide Formula: C22H23Cl2N3O3 MolecularWeight: 448.34232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CNC(=O)C2=CC=CC=C2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CNC(=O)C2=CC=CC=C2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3O3/c23-18-9-8-16(19(24)11-18)12-25-22(30)17-7-4-10-27(14-17)20(28)13-26-21(29)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2,(H,25,30)(H,26,29)/t17-/m0/s1