methyl 6-methoxy-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 6-methoxy-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 6-methoxy-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[[1-oxo-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 6-methoxy-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazino]propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H27F3N4O4 MolecularWeight: 504.50149

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H27F3N4O4/c1-35-18-6-7-19-20(15-18)29-23(24(34)36-2)22(19)30-21(33)8-9-31-10-12-32(13-11-31)17-5-3-4-16(14-17)25(26,27)28/h3-7,14-15,29H,8-13H2,1-2H3,(H,30,33)