methyl (2S)-2-[2-(3-methyl-2-oxidanylidene-quinoxalin-1-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(3-methyl-2-oxidanylidene-quinoxalin-1-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(3-methyl-2-oxo-quinoxalin-1-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(3-methyl-2-oxo-1-quinoxalinyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(2-keto-3-methyl-quinoxalin-1-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N(C1=O)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4/c1-14-20(26)24(18-11-7-6-10-16(18)22-14)13-19(25)23-17(21(27)28-2)12-15-8-4-3-5-9-15/h3-11,17H,12-13H2,1-2H3,(H,23,25)/t17-/m0/s1