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

Systemtic Name: [4-[(4-chlorophenyl)carbamoyl]phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: [4-[(4-chlorophenyl)carbamoyl]phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid [4-[(4-chloroanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)carbamoyl]phenyl] (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid [4-[(4-chlorophenyl)carbamoyl]phenyl] ester Formula: C27H23ClN2O4 MolecularWeight: 474.93552

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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)Cl

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)Cl

InChI

InChI=1S/C27H23ClN2O4/c1-2-3-16-33-24-12-4-19(5-13-24)17-21(18-29)27(32)34-25-14-6-20(7-15-25)26(31)30-23-10-8-22(28)9-11-23/h4-15,17H,2-3,16H2,1H3,(H,30,31)/b21-17+