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

Systemtic Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] (E)-3-(4-butoxyphenyl)prop-2-enoate Openeye Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] (E)-3-(4-butoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-propenoic acid [4-[(2,5-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] (E)-3-(4-butoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)acrylic acid [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] ester Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4/c1-4-5-18-32-24-13-8-22(9-14-24)10-17-27(30)33-25-15-11-23(12-16-25)28(31)29-26-19-20(2)6-7-21(26)3/h6-17,19H,4-5,18H2,1-3H3,(H,29,31)/b17-10+