(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(4-tert-butylphenyl)carbonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(4-tert-butylphenyl)carbonylphenyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(4-tert-butylbenzoyl)phenyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(4-tert-butylbenzoyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(4-tert-butylbenzoyl)phenyl]acrylamide 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)C2=CC(=CC=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

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