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

Systemtic Name: 2-[(2S)-4-[2-(dipropylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-[2-(dipropylamino)-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-[2-(dipropylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-[2-(dipropylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-[2-(dipropylamino)-2-keto-ethyl]-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CN1C2=CC=CC=C2OC(C1=O)CC(=O)O

Isomeric SMILES

CCCN(CCC)C(=O)CN1C2=CC=CC=C2O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C18H24N2O5/c1-3-9-19(10-4-2)16(21)12-20-13-7-5-6-8-14(13)25-15(18(20)24)11-17(22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H,22,23)/t15-/m0/s1