4-[[(2R)-6-[(1S)-1-azanylpropyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2R)-6-[(1S)-1-azanylpropyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2R)-6-[(1S)-1-aminopropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2R)-6-[(1S)-1-aminopropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2R)-6-[(1S)-1-aminopropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2R)-6-[(1S)-1-aminopropyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CC3=CC=C(C=C3)C(=O)O)C)N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-3-16(21)15-8-9-18-17(10-15)22(19(23)12(2)26-18)11-13-4-6-14(7-5-13)20(24)25/h4-10,12,16H,3,11,21H2,1-2H3,(H,24,25)/t12-,16+/m1/s1