[3-(3,4-dimethylphenoxy)-8-[(dipropylamino)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate

Systemtic Name: [3-(3,4-dimethylphenoxy)-8-[(dipropylamino)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(3,4-dimethylphenoxy)-8-[(dipropylamino)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(3,4-dimethylphenoxy)-8-[(dipropylamino)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethylphenoxy)-8-[(dipropylamino)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(3,4-dimethylphenoxy)-8-[(dipropylamino)methyl]-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C33H34F3NO5 MolecularWeight: 581.62197

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC(=C(C=C3)C)C)C(F)(F)F)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN(CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC(=C(C=C3)C)C)C(F)(F)F)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H34F3NO5/c1-6-16-37(17-7-2)19-26-27(41-32(39)23-11-8-20(3)9-12-23)15-14-25-28(38)30(31(33(34,35)36)42-29(25)26)40-24-13-10-21(4)22(5)18-24/h8-15,18H,6-7,16-17,19H2,1-5H3