(E)-3-(3-methoxy-2-propan-2-yloxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-methoxy-2-propan-2-yloxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-isopropoxy-3-methoxy-phenyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-methoxy-2-propan-2-yloxyphenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-methoxy-2-propan-2-yloxyphenyl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(2-isopropoxy-3-methoxy-phenyl)-2-o-toluoyl-acrylonitrile Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=C(C(=CC=C2)OC)OC(C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=C(C(=CC=C2)OC)OC(C)C)/C#N

InChI

InChI=1S/C21H21NO3/c1-14(2)25-21-16(9-7-11-19(21)24-4)12-17(13-22)20(23)18-10-6-5-8-15(18)3/h5-12,14H,1-4H3/b17-12+