2-(8-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(8-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(8-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxo-acetic acid CAS Name: 2-(8-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoacetic acid IUPAC Name: 2-(8-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoacetic acid Traditional Name: 2-keto-2-(8-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCCN(C2)C(=O)C(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CCCN(C2)C(=O)C(=O)O)C=C1

InChI

InChI=1S/C13H15NO4/c1-18-11-5-4-9-3-2-6-14(8-10(9)7-11)12(15)13(16)17/h4-5,7H,2-3,6,8H2,1H3,(H,16,17)