3-methylbutyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: 3-methylbutyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: isopentyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)-2-propenoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)acrylic acid isoamyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO5/c1-15(2)10-11-26-22(25)18(23-21(24)17-6-4-3-5-7-17)12-16-8-9-19-20(13-16)28-14-27-19/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,23,24)/b18-12+