N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]-4-tert-butyl-benzamide Openeye Name: N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]-4-tert-butyl-benzamide CAS Name: N-[4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]-4-tert-butylbenzamide Traditional Name: N-[4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]phenyl]-4-tert-butyl-benzamide Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H25NO4/c1-27(2,3)21-10-6-20(7-11-21)26(30)28-22-12-8-19(9-13-22)23(29)14-4-18-5-15-24-25(16-18)32-17-31-24/h4-16H,17H2,1-3H3,(H,28,30)/b14-4+