[3-(4-chloranyl-3-methyl-phenoxy)-8-(morpholin-4-ylmethyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate

Systemtic Name: [3-(4-chloranyl-3-methyl-phenoxy)-8-(morpholin-4-ylmethyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(4-chloro-3-methyl-phenoxy)-8-(morpholinomethyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(4-chloro-3-methylphenoxy)-8-(4-morpholinylmethyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3-methylphenoxy)-8-(morpholin-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(4-chloro-3-methyl-phenoxy)-4-keto-8-(morpholinomethyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C30H25ClF3NO6 MolecularWeight: 587.97081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC(=C(C=C4)Cl)C)CN5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC(=C(C=C4)Cl)C)CN5CCOCC5

InChI

InChI=1S/C30H25ClF3NO6/c1-17-3-5-19(6-4-17)29(37)40-24-10-8-21-25(36)27(39-20-7-9-23(31)18(2)15-20)28(30(32,33)34)41-26(21)22(24)16-35-11-13-38-14-12-35/h3-10,15H,11-14,16H2,1-2H3