butyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: butyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate Openeye Name: butyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzoic acid butyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H21NO5/c1-2-3-11-25-21(24)16-5-4-6-17(13-16)22-20(23)10-8-15-7-9-18-19(12-15)27-14-26-18/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,23)/b10-8+