[2-methyl-6-(3-methylbut-2-enoylamino)chromen-2-yl]methyl 2-fluoranylbenzoate

Systemtic Name: [2-methyl-6-(3-methylbut-2-enoylamino)chromen-2-yl]methyl 2-fluoranylbenzoate Openeye Name: [2-methyl-6-(3-methylbut-2-enoylamino)chromen-2-yl]methyl 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-methyl-6-[(3-methyl-1-oxobut-2-enyl)amino]-1-benzopyran-2-yl]methyl ester IUPAC Name: [2-methyl-6-(3-methylbut-2-enoylamino)chromen-2-yl]methyl 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-methyl-6-(3-methylbut-2-enoylamino)chromen-2-yl]methyl ester Formula: C23H22FNO4 MolecularWeight: 395.423483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC2=C(C=C1)OC(C=C2)(C)COC(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC(=CC(=O)NC1=CC2=C(C=C1)OC(C=C2)(C)COC(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C23H22FNO4/c1-15(2)12-21(26)25-17-8-9-20-16(13-17)10-11-23(3,29-20)14-28-22(27)18-6-4-5-7-19(18)24/h4-13H,14H2,1-3H3,(H,25,26)