ethyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[[(E)-3-p-cumenylacryloyl]-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C27H28N2O3/c1-4-32-27(31)24-12-14-25(15-13-24)29(19-22-6-5-17-28-18-22)26(30)16-9-21-7-10-23(11-8-21)20(2)3/h5-18,20H,4,19H2,1-3H3/b16-9+