methyl (2R,4S,5S)-1-(2,2-dimethoxyethyl)-5-ethyl-2-(1H-indol-3-yl)piperidine-4-carboxylate

Systemtic Name: methyl (2R,4S,5S)-1-(2,2-dimethoxyethyl)-5-ethyl-2-(1H-indol-3-yl)piperidine-4-carboxylate Openeye Name: methyl (2R,4S,5S)-1-(2,2-dimethoxyethyl)-5-ethyl-2-(1H-indol-3-yl)piperidine-4-carboxylate CAS Name: (2R,4S,5S)-1-(2,2-dimethoxyethyl)-5-ethyl-2-(1H-indol-3-yl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S,5S)-1-(2,2-dimethoxyethyl)-5-ethyl-2-(1H-indol-3-yl)piperidine-4-carboxylate Traditional Name: (2R,4S,5S)-1-(2,2-dimethoxyethyl)-5-ethyl-2-(1H-indol-3-yl)isonipecotic acid methyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C(CC1C(=O)OC)C2=CNC3=CC=CC=C32)CC(OC)OC

Isomeric SMILES

CC[C@@H]1CN([C@H](C[C@@H]1C(=O)OC)C2=CNC3=CC=CC=C32)CC(OC)OC

InChI

InChI=1S/C21H30N2O4/c1-5-14-12-23(13-20(25-2)26-3)19(10-16(14)21(24)27-4)17-11-22-18-9-7-6-8-15(17)18/h6-9,11,14,16,19-20,22H,5,10,12-13H2,1-4H3/t14-,16+,19-/m1/s1