11-[2-(1-methylpyrrol-2-yl)ethylimino]-6H-benzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-[2-(1-methylpyrrol-2-yl)ethylimino]-6H-benzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[2-(1-methylpyrrol-2-yl)ethylimino]-6H-benzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[2-(1-methyl-2-pyrrolyl)ethylimino]-6H-benzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[2-(1-methylpyrrol-2-yl)ethylimino]-6H-benzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[2-(1-methylpyrrol-2-yl)ethylimino]-6H-benzo[c][1]benzoxepin-2-carboxylic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CCN=C2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O

Isomeric SMILES

CN1C=CC=C1CCN=C2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O

InChI

InChI=1S/C22H20N2O3/c1-24-12-4-6-17(24)10-11-23-21-18-7-3-2-5-16(18)14-27-20-9-8-15(22(25)26)13-19(20)21/h2-9,12-13H,10-11,14H2,1H3,(H,25,26)