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

Systemtic Name: 2-[(2R)-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-4-[2-(azepan-1-yl)-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2R)-4-[2-(1-azepanyl)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2R)-4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2R)-4-[2-(azepan-1-yl)-2-keto-ethyl]-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3OC(C2=O)CC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3O[C@@H](C2=O)CC(=O)O

InChI

InChI=1S/C18H22N2O5/c21-16(19-9-5-1-2-6-10-19)12-20-13-7-3-4-8-14(13)25-15(18(20)24)11-17(22)23/h3-4,7-8,15H,1-2,5-6,9-12H2,(H,22,23)/t15-/m1/s1