2-(7-carboxy-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoate

Systemtic Name: 2-(7-carboxy-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoate Openeye Name: 2-(7-carboxy-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetate CAS Name: 2-(7-carboxy-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetate IUPAC Name: 2-(7-carboxy-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetate Traditional Name: 2-(7-carboxy-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetate Formula: C21H20NO5- MolecularWeight: 366.3872

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)O)CCC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)O)CCC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C21H21NO5/c23-19(24)12-18-11-17-10-15(21(26)27)6-7-16(17)13-22(20(18)25)9-8-14-4-2-1-3-5-14/h1-7,10,18H,8-9,11-13H2,(H,23,24)(H,26,27)/p-1