(8Z)-8-(5-oxidanylidene-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid

Systemtic Name: (8Z)-8-(5-oxidanylidene-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid Openeye Name: (8Z)-8-(5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid CAS Name: (8Z)-8-(5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid IUPAC Name: (8Z)-8-(5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid Traditional Name: (8Z)-8-(5-keto-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)caprylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CCCCCCCC(=O)O)C3=C(C=CN=C3)C(=O)N2

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/CCCCCCC(=O)O)/C3=C(C=CN=C3)C(=O)N2

InChI

InChI=1S/C21H22N2O3/c24-20(25)11-5-3-1-2-4-8-15-16-9-6-7-10-19(16)23-21(26)17-12-13-22-14-18(15)17/h6-10,12-14H,1-5,11H2,(H,23,26)(H,24,25)/b15-8-