(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-3-oxidanyl-propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-3-oxidanyl-propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[[3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]propanamide Traditional Name: (2S)-3-hydroxy-2-[[3-(1H-indol-3-yl)acryloyl]amino]-N-piperonyl-propionamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC(=O)C=CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@H](CO)NC(=O)C=CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O5/c26-12-18(22(28)24-10-14-5-7-19-20(9-14)30-13-29-19)25-21(27)8-6-15-11-23-17-4-2-1-3-16(15)17/h1-9,11,18,23,26H,10,12-13H2,(H,24,28)(H,25,27)/t18-/m0/s1