4-[[6-[(1S)-1-azanylethyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[(1S)-1-azanylethyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(1S)-1-aminoethyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[6-[(1S)-1-aminoethyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(1S)-1-aminoethyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[6-[(1S)-1-aminoethyl]-3-keto-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C18H18N2O4/c1-11(19)14-6-7-16-15(8-14)20(17(21)10-24-16)9-12-2-4-13(5-3-12)18(22)23/h2-8,11H,9-10,19H2,1H3,(H,22,23)/t11-/m0/s1