2-[(2S)-6-methyl-3-oxidanylidene-4-[2-oxidanylidene-2-(propylamino)ethyl]-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-6-methyl-3-oxidanylidene-4-[2-oxidanylidene-2-(propylamino)ethyl]-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-6-methyl-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-6-methyl-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-methyl-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-4-[2-keto-2-(propylamino)ethyl]-6-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1C2=C(C=CC(=C2)C)OC(C1=O)CC(=O)O

Isomeric SMILES

CCCNC(=O)CN1C2=C(C=CC(=C2)C)O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C16H20N2O5/c1-3-6-17-14(19)9-18-11-7-10(2)4-5-12(11)23-13(16(18)22)8-15(20)21/h4-5,7,13H,3,6,8-9H2,1-2H3,(H,17,19)(H,20,21)/t13-/m0/s1