(2S)-1-[4-[2-(5-cyano-2-phenylmethoxy-phenyl)ethanoylamino]-2-methyl-phenyl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[4-[2-(5-cyano-2-phenylmethoxy-phenyl)ethanoylamino]-2-methyl-phenyl]carbonylpyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-[[2-(2-benzyloxy-5-cyano-phenyl)acetyl]amino]-2-methyl-benzoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[4-[[2-(5-cyano-2-phenylmethoxyphenyl)-1-oxoethyl]amino]-2-methylphenyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-[[2-(5-cyano-2-phenylmethoxyphenyl)acetyl]amino]-2-methylbenzoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[4-[[2-(2-benzoxy-5-cyano-phenyl)acetyl]amino]-2-methyl-benzoyl]pyrrolidine-2-carboxamide Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)C(=O)N4CCCC4C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N

InChI

InChI=1S/C29H28N4O4/c1-19-14-23(10-11-24(19)29(36)33-13-5-8-25(33)28(31)35)32-27(34)16-22-15-21(17-30)9-12-26(22)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-12,14-15,25H,5,8,13,16,18H2,1H3,(H2,31,35)(H,32,34)/t25-/m0/s1