2-[(2S)-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-[2-(azepan-1-yl)-2-oxo-ethyl]-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-[2-(1-azepanyl)-2-oxoethyl]-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-[2-(azepan-1-yl)-2-keto-ethyl]-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N2O5/c1-13-6-7-14-15(10-13)26-16(11-18(23)24)19(25)21(14)12-17(22)20-8-4-2-3-5-9-20/h6-7,10,16H,2-5,8-9,11-12H2,1H3,(H,23,24)/t16-/m0/s1