(3S)-1-(2-benzamidoethanoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-benzamidoethanoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-benzamidoacetyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(2-benzamido-1-oxoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-benzamidoacetyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hippuroyl-nipecotamide Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CNC(=O)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CNC(=O)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H25N3O5/c27-21(14-24-22(28)16-5-2-1-3-6-16)26-10-4-7-17(15-26)23(29)25-18-8-9-19-20(13-18)31-12-11-30-19/h1-3,5-6,8-9,13,17H,4,7,10-12,14-15H2,(H,24,28)(H,25,29)/t17-/m0/s1