2-[(4S)-4-(methylamino)-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]ethanoic acid

Systemtic Name: 2-[(4S)-4-(methylamino)-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]ethanoic acid Openeye Name: 2-[(4S)-4-(methylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid CAS Name: 2-[(4S)-4-(methylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid IUPAC Name: 2-[(4S)-4-(methylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid Traditional Name: 2-[(4S)-3-keto-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CC2=CC=CC=C2CN(C1=O)CC(=O)O

Isomeric SMILES

CN[C@H]1CC2=CC=CC=C2CN(C1=O)CC(=O)O

InChI

InChI=1S/C13H16N2O3/c1-14-11-6-9-4-2-3-5-10(9)7-15(13(11)18)8-12(16)17/h2-5,11,14H,6-8H2,1H3,(H,16,17)/t11-/m0/s1