methyl 5-bromanyl-3-[2-(3,3-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-(3,3-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[2-(3,3-dimethyl-1-piperidyl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(3,3-dimethyl-1-piperidinyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[2-(3,3-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[2-(3,3-dimethylpiperidino)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H26BrN3O3 MolecularWeight: 436.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCCC(C3)(C)C

Isomeric SMILES

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCCC(C3)(C)C

InChI

InChI=1S/C20H26BrN3O3/c1-12(24-9-5-8-20(2,3)11-24)18(25)23-16-14-10-13(21)6-7-15(14)22-17(16)19(26)27-4/h6-7,10,12,22H,5,8-9,11H2,1-4H3,(H,23,25)