methyl 11-(2-imidazol-1-ylethanoylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-(2-imidazol-1-ylethanoylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[(2-imidazol-1-ylacetyl)amino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[[2-(1-imidazolyl)-1-oxoethyl]amino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[(2-imidazol-1-ylacetyl)amino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[(2-imidazol-1-ylacetyl)amino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NC(=O)CN4C=CN=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NC(=O)CN4C=CN=C4

InChI

InChI=1S/C21H19N3O4/c1-27-21(26)14-6-7-18-17(10-14)20(16-5-3-2-4-15(16)12-28-18)23-19(25)11-24-9-8-22-13-24/h2-10,13,20H,11-12H2,1H3,(H,23,25)