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

Systemtic Name: N-[4-[[2-(3,4-dimethoxyphenyl)-2-prop-2-enyl-pent-4-enoyl]amino]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[[2-allyl-2-(3,4-dimethoxyphenyl)pent-4-enoyl]amino]phenyl]-3-fluoro-benzamide CAS Name: N-[4-[[2-(3,4-dimethoxyphenyl)-1-oxo-2-prop-2-enylpent-4-enyl]amino]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[[2-(3,4-dimethoxyphenyl)-2-prop-2-enylpent-4-enoyl]amino]phenyl]-3-fluorobenzamide Traditional Name: N-[4-[[2-allyl-2-(3,4-dimethoxyphenyl)pent-4-enoyl]amino]phenyl]-3-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=C3)F)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=C3)F)OC

InChI

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