(3S)-1-(2-benzamidoethanoyl)-N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-benzamidoethanoyl)-N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-benzamidoacetyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-benzamido-1-oxoethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-benzamidoacetyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-hippuroyl-nipecotamide Formula: C25H27FN4O3 MolecularWeight: 450.505283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CNC(=O)C2=CC=CC=C2)C(=O)NCCC3=CNC4=C3C=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CNC(=O)C2=CC=CC=C2)C(=O)NCCC3=CNC4=C3C=C(C=C4)F

InChI

InChI=1S/C25H27FN4O3/c26-20-8-9-22-21(13-20)18(14-28-22)10-11-27-25(33)19-7-4-12-30(16-19)23(31)15-29-24(32)17-5-2-1-3-6-17/h1-3,5-6,8-9,13-14,19,28H,4,7,10-12,15-16H2,(H,27,33)(H,29,32)/t19-/m0/s1