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

Systemtic Name: 4-[[6-[(1S)-1-azanylpropyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(1S)-1-aminopropyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[6-[(1S)-1-aminopropyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(1S)-1-aminopropyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[6-[(1S)-1-aminopropyl]-3-keto-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4/c1-2-15(20)14-7-8-17-16(9-14)21(18(22)11-25-17)10-12-3-5-13(6-4-12)19(23)24/h3-9,15H,2,10-11,20H2,1H3,(H,23,24)/t15-/m0/s1