(2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propyl-propanamide Openeye Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-N-propyl-propionamide Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H20N2O4/c1-3-8-17-16(20)11(2)18-15(19)7-5-12-4-6-13-14(9-12)22-10-21-13/h4-7,9,11H,3,8,10H2,1-2H3,(H,17,20)(H,18,19)/b7-5+/t11-/m0/s1