ethyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]-5-fluoranyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxopropyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[2-[4-(2,3-dimethylphenyl)piperazino]propanoylamino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C26H31FN4O3 MolecularWeight: 466.547743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C26H31FN4O3/c1-5-34-26(33)24-23(20-15-19(27)9-10-21(20)28-24)29-25(32)18(4)30-11-13-31(14-12-30)22-8-6-7-16(2)17(22)3/h6-10,15,18,28H,5,11-14H2,1-4H3,(H,29,32)