(2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-quinolin-3-ylphenyl)methoxy]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-quinolin-3-ylphenyl)methoxy]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(3-quinolyl)phenyl]methoxy]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(3-quinolinyl)phenyl]methoxy]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-quinolin-3-ylphenyl)methoxy]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(3-quinolyl)phenyl]methoxy]valeramide Formula: C30H29N3O2 MolecularWeight: 463.57016

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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=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C30H29N3O2/c1-21(2)18-28(30(34)32-17-16-31)35-29(23-8-4-3-5-9-23)24-14-12-22(13-15-24)26-19-25-10-6-7-11-27(25)33-20-26/h3-15,19-21,28-29H,17-18H2,1-2H3,(H,32,34)/t28-,29?/m0/s1