N-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]phenyl]-3-methyl-butyramide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22N2O4/c1-14(2)11-21(25)23-17-7-5-16(6-8-17)22-20(24)10-4-15-3-9-18-19(12-15)27-13-26-18/h3-10,12,14H,11,13H2,1-2H3,(H,22,24)(H,23,25)/b10-4+