ethyl (Z)-3-[(4-tert-butylphenyl)amino]-2-(2-fluoranyl-4-pyridin-4-yl-phenyl)carbonyl-prop-2-enoate

Systemtic Name: ethyl (Z)-3-[(4-tert-butylphenyl)amino]-2-(2-fluoranyl-4-pyridin-4-yl-phenyl)carbonyl-prop-2-enoate Openeye Name: ethyl (Z)-3-(4-tert-butylanilino)-2-[2-fluoro-4-(4-pyridyl)benzoyl]prop-2-enoate CAS Name: (Z)-3-(4-tert-butylanilino)-2-[(2-fluoro-4-pyridin-4-ylphenyl)-oxomethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(4-tert-butylanilino)-2-(2-fluoro-4-pyridin-4-ylbenzoyl)prop-2-enoate Traditional Name: (Z)-3-(4-tert-butylanilino)-2-[2-fluoro-4-(4-pyridyl)benzoyl]acrylic acid ethyl ester Formula: C27H27FN2O3 MolecularWeight: 446.513283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=C(C=C1)C(C)(C)C)C(=O)C2=C(C=C(C=C2)C3=CC=NC=C3)F

Isomeric SMILES

CCOC(=O)/C(=C\NC1=CC=C(C=C1)C(C)(C)C)/C(=O)C2=C(C=C(C=C2)C3=CC=NC=C3)F

InChI

InChI=1S/C27H27FN2O3/c1-5-33-26(32)23(17-30-21-9-7-20(8-10-21)27(2,3)4)25(31)22-11-6-19(16-24(22)28)18-12-14-29-15-13-18/h6-17,30H,5H2,1-4H3/b23-17-