methyl 4-[[(E)-3-[4-(5-pentylpyridin-2-yl)phenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-3-[4-(5-pentylpyridin-2-yl)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-[4-(5-pentyl-2-pyridyl)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-1-oxo-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-[4-(5-pentylpyridin-2-yl)phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-[4-(5-amyl-2-pyridyl)phenyl]acryloyl]amino]benzoic acid methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C=CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H28N2O3/c1-3-4-5-6-21-9-17-25(28-19-21)22-11-7-20(8-12-22)10-18-26(30)29-24-15-13-23(14-16-24)27(31)32-2/h7-19H,3-6H2,1-2H3,(H,29,30)/b18-10+