(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H23F3N2O4 MolecularWeight: 496.47773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F)C(C)C

InChI

InChI=1S/C27H23F3N2O4/c1-15(2)21-13-22-17(11-24(33)36-23(22)10-16(21)3)14-35-26(34)20-8-5-9-31-25(20)32-19-7-4-6-18(12-19)27(28,29)30/h4-13,15H,14H2,1-3H3,(H,31,32)