11-(2-imidazol-1-ylethanoylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-(2-imidazol-1-ylethanoylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[(2-imidazol-1-ylacetyl)amino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[[2-(1-imidazolyl)-1-oxoethyl]amino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[(2-imidazol-1-ylacetyl)amino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[(2-imidazol-1-ylacetyl)amino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)NC(=O)CN4C=CN=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)NC(=O)CN4C=CN=C4

InChI

InChI=1S/C20H17N3O4/c24-18(10-23-8-7-21-12-23)22-19-15-4-2-1-3-14(15)11-27-17-6-5-13(20(25)26)9-16(17)19/h1-9,12,19H,10-11H2,(H,22,24)(H,25,26)