[2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl] pyridine-3-carboxylate Openeye Name: [2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(E)-3-(4-tert-butylphenyl)acryloyl]phenyl] ester Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C25H23NO3/c1-25(2,3)20-13-10-18(11-14-20)12-15-22(27)21-8-4-5-9-23(21)29-24(28)19-7-6-16-26-17-19/h4-17H,1-3H3/b15-12+