N-[4-[[2-(3,4-dimethoxyphenyl)-2-prop-2-enyl-pent-4-enoyl]amino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[2-(3,4-dimethoxyphenyl)-2-prop-2-enyl-pent-4-enoyl]amino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[2-allyl-2-(3,4-dimethoxyphenyl)pent-4-enoyl]amino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[2-(3,4-dimethoxyphenyl)-1-oxo-2-prop-2-enylpent-4-enyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[2-(3,4-dimethoxyphenyl)-2-prop-2-enylpent-4-enoyl]amino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[2-allyl-2-(3,4-dimethoxyphenyl)pent-4-enoyl]amino]phenyl]-2-fluoro-benzamide Formula: C29H29FN2O4 MolecularWeight: 488.549963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC=C)(CC=C)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC=C)(CC=C)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)OC

InChI

InChI=1S/C29H29FN2O4/c1-5-17-29(18-6-2,20-11-16-25(35-3)26(19-20)36-4)28(34)32-22-14-12-21(13-15-22)31-27(33)23-9-7-8-10-24(23)30/h5-16,19H,1-2,17-18H2,3-4H3,(H,31,33)(H,32,34)