tert-butyl 5-[1-(2-diethylaminoethyl)-3-naphthalen-2-yl-3-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)indol-6-yl]pent-4-ynoate

Systemtic Name: tert-butyl 5-[1-(2-diethylaminoethyl)-3-naphthalen-2-yl-3-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)indol-6-yl]pent-4-ynoate Openeye Name: tert-butyl 5-[1-(2-diethylaminoethyl)-3-hydroxy-3-(2-naphthyl)-2-oxo-4-(trifluoromethyl)indolin-6-yl]pent-4-ynoate CAS Name: 5-[1-(2-diethylaminoethyl)-3-hydroxy-3-(2-naphthalenyl)-2-oxo-4-(trifluoromethyl)-6-indolyl]-4-pentynoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[1-(2-diethylaminoethyl)-3-hydroxy-3-naphthalen-2-yl-2-oxo-4-(trifluoromethyl)indol-6-yl]pent-4-ynoate Traditional Name: 5-[1-(2-diethylaminoethyl)-3-hydroxy-2-keto-3-(2-naphthyl)-4-(trifluoromethyl)indolin-6-yl]pent-4-ynoic acid tert-butyl ester Formula: C34H37F3N2O4 MolecularWeight: 594.66379

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC(=CC(=C2C(C1=O)(C3=CC4=CC=CC=C4C=C3)O)C(F)(F)F)C#CCCC(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC)CCN1C2=CC(=CC(=C2C(C1=O)(C3=CC4=CC=CC=C4C=C3)O)C(F)(F)F)C#CCCC(=O)OC(C)(C)C

InChI

InChI=1S/C34H37F3N2O4/c1-6-38(7-2)18-19-39-28-21-23(12-8-11-15-29(40)43-32(3,4)5)20-27(34(35,36)37)30(28)33(42,31(39)41)26-17-16-24-13-9-10-14-25(24)22-26/h9-10,13-14,16-17,20-22,42H,6-7,11,15,18-19H2,1-5H3