ethyl 5-chloranyl-3-[[ethyl-[1-(phenylmethyl)piperidin-4-yl]amino]methyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-[[ethyl-[1-(phenylmethyl)piperidin-4-yl]amino]methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(1-benzyl-4-piperidyl)-ethyl-amino]methyl]-5-chloro-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[ethyl-[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(1-benzylpiperidin-4-yl)-ethylamino]methyl]-5-chloro-1H-indole-2-carboxylate Traditional Name: 3-[[(1-benzyl-4-piperidyl)-ethyl-amino]methyl]-5-chloro-1H-indole-2-carboxylic acid ethyl ester Formula: C26H32ClN3O2 MolecularWeight: 454.00418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OCC)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OCC)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32ClN3O2/c1-3-30(21-12-14-29(15-13-21)17-19-8-6-5-7-9-19)18-23-22-16-20(27)10-11-24(22)28-25(23)26(31)32-4-2/h5-11,16,21,28H,3-4,12-15,17-18H2,1-2H3