(2S)-2-acetamido-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-3-yl)propanamide

Systemtic Name: (2S)-2-acetamido-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-3-yl)propanamide Openeye Name: (2S)-2-acetamido-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-2-acetamido-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: (2S)-2-acetamido-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-2-acetamido-N-homopiperonyl-3-(1H-indol-3-yl)propionamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O4/c1-14(26)25-19(11-16-12-24-18-5-3-2-4-17(16)18)22(27)23-9-8-15-6-7-20-21(10-15)29-13-28-20/h2-7,10,12,19,24H,8-9,11,13H2,1H3,(H,23,27)(H,25,26)/t19-/m0/s1