(2S)-N-(cyanomethyl)-2-[[4-(1H-indol-4-yl)phenyl]-phenyl-methoxy]-4-methyl-pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-2-[[4-(1H-indol-4-yl)phenyl]-phenyl-methoxy]-4-methyl-pentanamide Openeye Name: (2S)-N-(cyanomethyl)-2-[[4-(1H-indol-4-yl)phenyl]-phenyl-methoxy]-4-methyl-pentanamide CAS Name: (2S)-N-(cyanomethyl)-2-[[4-(1H-indol-4-yl)phenyl]-phenylmethoxy]-4-methylpentanamide IUPAC Name: (2S)-N-(cyanomethyl)-2-[[4-(1H-indol-4-yl)phenyl]-phenylmethoxy]-4-methylpentanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[[4-(1H-indol-4-yl)phenyl]-phenyl-methoxy]-4-methyl-valeramide Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C3=C4C=CNC4=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C3=C4C=CNC4=CC=C3

InChI

InChI=1S/C29H29N3O2/c1-20(2)19-27(29(33)32-18-16-30)34-28(22-7-4-3-5-8-22)23-13-11-21(12-14-23)24-9-6-10-26-25(24)15-17-31-26/h3-15,17,20,27-28,31H,18-19H2,1-2H3,(H,32,33)/t27-,28?/m0/s1