4-[2-[(2S)-7-azanyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(2S)-7-azanyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]benzoic acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(O1)C=C(C=C2)N)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C[C@H]1CN(C2=C(O1)C=C(C=C2)N)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H19N3O4/c1-11-9-21(15-7-4-13(19)8-16(15)25-11)10-17(22)20-14-5-2-12(3-6-14)18(23)24/h2-8,11H,9-10,19H2,1H3,(H,20,22)(H,23,24)/t11-/m0/s1