methyl (2S)-2-[(5-ethyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[(5-ethyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[(5-ethyl-4-oxo-3,1-benzoxazin-2-yl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[(5-ethyl-4-oxo-3,1-benzoxazin-2-yl)amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-ethyl-4-oxo-3,1-benzoxazin-2-yl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(5-ethyl-4-keto-3,1-benzoxazin-2-yl)amino]-4-methyl-valeric acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N=C(OC2=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CCC1=C2C(=CC=C1)N=C(OC2=O)N[C@@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C17H22N2O4/c1-5-11-7-6-8-12-14(11)16(21)23-17(18-12)19-13(9-10(2)3)15(20)22-4/h6-8,10,13H,5,9H2,1-4H3,(H,18,19)/t13-/m0/s1