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

Systemtic Name: [4-[(4-chlorophenyl)carbamoyl]phenyl] (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate Openeye Name: [4-[(4-chlorophenyl)carbamoyl]phenyl] (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-propoxyphenyl)-2-propenoic acid [4-[(4-chloroanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)carbamoyl]phenyl] (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-propoxyphenyl)acrylic acid [4-[(4-chlorophenyl)carbamoyl]phenyl] ester Formula: C26H21ClN2O4 MolecularWeight: 460.90894

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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=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O4/c1-2-15-32-24-6-4-3-5-19(24)16-20(17-28)26(31)33-23-13-7-18(8-14-23)25(30)29-22-11-9-21(27)10-12-22/h3-14,16H,2,15H2,1H3,(H,29,30)/b20-16+