1-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide CAS Name: 1-[(2S)-2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]-N-(1,3-benzodioxol-5-yl)-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-N-(1,3-benzodioxol-5-yl)isonipecotamide Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O5/c1-16(31)28-22(12-18-14-27-21-5-3-2-4-20(18)21)26(33)30-10-8-17(9-11-30)25(32)29-19-6-7-23-24(13-19)35-15-34-23/h2-7,13-14,17,22,27H,8-12,15H2,1H3,(H,28,31)(H,29,32)/t22-/m0/s1