N-[(2S)-1-[[4-(cyanomethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-ethoxy-benzamide

Systemtic Name: N-[(2S)-1-[[4-(cyanomethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-ethoxy-benzamide Openeye Name: N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]-2-ethoxy-benzamide CAS Name: N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide IUPAC Name: N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide Traditional Name: N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]-2-ethoxy-benzamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C22H25N3O3/c1-4-28-19-8-6-5-7-18(19)21(26)25-20(15(2)3)22(27)24-17-11-9-16(10-12-17)13-14-23/h5-12,15,20H,4,13H2,1-3H3,(H,24,27)(H,25,26)/t20-/m0/s1