ethyl (2R,3S)-3-(cyanomethyl)-2-(2-phenylmethoxyethyl)-1-(phenylmethyl)-2H-indole-3-carboxylate

Systemtic Name: ethyl (2R,3S)-3-(cyanomethyl)-2-(2-phenylmethoxyethyl)-1-(phenylmethyl)-2H-indole-3-carboxylate Openeye Name: ethyl (2R,3S)-1-benzyl-2-(2-benzyloxyethyl)-3-(cyanomethyl)indoline-3-carboxylate CAS Name: (2R,3S)-3-(cyanomethyl)-2-(2-phenylmethoxyethyl)-1-(phenylmethyl)-2H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-1-benzyl-3-(cyanomethyl)-2-(2-phenylmethoxyethyl)-2H-indole-3-carboxylate Traditional Name: (2R,3S)-2-(2-benzoxyethyl)-1-benzyl-3-(cyanomethyl)indoline-3-carboxylic acid ethyl ester Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CCOCC4=CC=CC=C4)CC#N

Isomeric SMILES

CCOC(=O)[C@@]1([C@H](N(C2=CC=CC=C21)CC3=CC=CC=C3)CCOCC4=CC=CC=C4)CC#N

InChI

InChI=1S/C29H30N2O3/c1-2-34-28(32)29(18-19-30)25-15-9-10-16-26(25)31(21-23-11-5-3-6-12-23)27(29)17-20-33-22-24-13-7-4-8-14-24/h3-16,27H,2,17-18,20-22H2,1H3/t27-,29+/m1/s1