[3-(4-chloranyl-3-methyl-phenoxy)-4-oxidanylidene-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate

Systemtic Name: [3-(4-chloranyl-3-methyl-phenoxy)-4-oxidanylidene-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(4-chloro-3-methyl-phenoxy)-4-oxo-8-(1-piperidylmethyl)-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(4-chloro-3-methylphenoxy)-4-oxo-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3-methylphenoxy)-4-oxo-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(4-chloro-3-methyl-phenoxy)-4-keto-8-(piperidinomethyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H27ClF3NO5 MolecularWeight: 585.99799

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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)CN5CCCCC5

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)CN5CCCCC5

InChI

InChI=1S/C31H27ClF3NO5/c1-18-6-8-20(9-7-18)30(38)40-25-13-11-22-26(37)28(39-21-10-12-24(32)19(2)16-21)29(31(33,34)35)41-27(22)23(25)17-36-14-4-3-5-15-36/h6-13,16H,3-5,14-15,17H2,1-2H3