N-[(2S)-1-[(3-ethynylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[(3-ethynylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-[(3-ethynylphenyl)carbamoyl]-2-methyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-(3-ethynylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-(3-ethynylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-[(3-ethynylphenyl)carbamoyl]-2-methyl-propyl]-3-methyl-benzamide Formula: C21H22N2O2 MolecularWeight: 334.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C21H22N2O2/c1-5-16-9-7-11-18(13-16)22-21(25)19(14(2)3)23-20(24)17-10-6-8-15(4)12-17/h1,6-14,19H,2-4H3,(H,22,25)(H,23,24)/t19-/m0/s1