methyl (2S)-2-[2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(3-keto-2-methyl-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O5/c1-14-20(25)23(17-10-6-7-11-18(17)28-14)13-19(24)22-16(21(26)27-2)12-15-8-4-3-5-9-15/h3-11,14,16H,12-13H2,1-2H3,(H,22,24)/t14?,16-/m0/s1