[2-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [2-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]phenyl] 4-tert-butylbenzoate Openeye Name: [2-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[(E)-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[(E)-3-(4-dimethylaminophenyl)acryloyl]phenyl] ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)C=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)/C=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C28H29NO3/c1-28(2,3)22-15-13-21(14-16-22)27(31)32-26-9-7-6-8-24(26)25(30)19-12-20-10-17-23(18-11-20)29(4)5/h6-19H,1-5H3/b19-12+