[4-[(4-methylphenyl)carbamoyl]phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: [4-[(4-methylphenyl)carbamoyl]phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: [4-(p-tolylcarbamoyl)phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methylphenyl)carbamoyl]phenyl] (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid [4-(p-tolylcarbamoyl)phenyl] ester Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C

InChI

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