5-[1-(2-diethylaminoethyl)-3-naphthalen-2-yl-3-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)indol-6-yl]pent-4-ynoic acid

Systemtic Name: 5-[1-(2-diethylaminoethyl)-3-naphthalen-2-yl-3-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)indol-6-yl]pent-4-ynoic acid Openeye Name: 5-[1-(2-diethylaminoethyl)-3-hydroxy-3-(2-naphthyl)-2-oxo-4-(trifluoromethyl)indolin-6-yl]pent-4-ynoic acid CAS Name: 5-[1-(2-diethylaminoethyl)-3-hydroxy-3-(2-naphthalenyl)-2-oxo-4-(trifluoromethyl)-6-indolyl]-4-pentynoic acid IUPAC Name: 5-[1-(2-diethylaminoethyl)-3-hydroxy-3-naphthalen-2-yl-2-oxo-4-(trifluoromethyl)indol-6-yl]pent-4-ynoic acid Traditional Name: 5-[1-(2-diethylaminoethyl)-3-hydroxy-2-keto-3-(2-naphthyl)-4-(trifluoromethyl)indolin-6-yl]pent-4-ynoic acid Formula: C30H29F3N2O4 MolecularWeight: 538.55747

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C30H29F3N2O4/c1-3-34(4-2)15-16-35-25-18-20(9-5-8-12-26(36)37)17-24(30(31,32)33)27(25)29(39,28(35)38)23-14-13-21-10-6-7-11-22(21)19-23/h6-7,10-11,13-14,17-19,39H,3-4,8,12,15-16H2,1-2H3,(H,36,37)