[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate

Systemtic Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate Openeye Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-propoxyphenyl)-2-propenoic acid [4-[(2,5-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-propoxyphenyl)acrylic acid [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] ester Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C28H26N2O4/c1-4-15-33-26-8-6-5-7-22(26)17-23(18-29)28(32)34-24-13-11-21(12-14-24)27(31)30-25-16-19(2)9-10-20(25)3/h5-14,16-17H,4,15H2,1-3H3,(H,30,31)/b23-17+