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

Systemtic Name: N-[(2S)-1-[[4-(cyanomethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]-2-methoxy-benzamide CAS Name: N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]-2-methoxy-benzamide Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)CC#N)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)CC#N)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H23N3O3/c1-14(2)19(24-20(25)17-6-4-5-7-18(17)27-3)21(26)23-16-10-8-15(9-11-16)12-13-22/h4-11,14,19H,12H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1