methyl 5-bromanyl-3-[2-[4-(phenylmethyl)piperidin-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-[4-(phenylmethyl)piperidin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[2-(4-benzyl-1-piperidyl)propanoylamino]-5-bromo-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperidinyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-benzylpiperidin-1-yl)propanoylamino]-5-bromo-1H-indole-2-carboxylate Traditional Name: 3-[2-(4-benzylpiperidino)propanoylamino]-5-bromo-1H-indole-2-carboxylic acid methyl ester Formula: C25H28BrN3O3 MolecularWeight: 498.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28BrN3O3/c1-16(29-12-10-18(11-13-29)14-17-6-4-3-5-7-17)24(30)28-22-20-15-19(26)8-9-21(20)27-23(22)25(31)32-2/h3-9,15-16,18,27H,10-14H2,1-2H3,(H,28,30)