11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H19N3O3/c27-23(28)14-9-10-20-17(11-14)22(16-6-2-1-5-15(16)13-29-20)24-12-21-25-18-7-3-4-8-19(18)26-21/h1-11,22,24H,12-13H2,(H,25,26)(H,27,28)