methyl 11-(aminomethyl)-11-oxidanyl-6H-benzo[c][1]benzoxepine-9-carboxylate

Systemtic Name: methyl 11-(aminomethyl)-11-oxidanyl-6H-benzo[c][1]benzoxepine-9-carboxylate Openeye Name: methyl 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepine-9-carboxylate CAS Name: 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepin-9-carboxylic acid methyl ester IUPAC Name: methyl 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepine-9-carboxylate Traditional Name: 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepin-9-carboxylic acid methyl ester Formula: C17H17NO4 MolecularWeight: 299.32118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(COC3=CC=CC=C3C2(CN)O)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(COC3=CC=CC=C3C2(CN)O)C=C1

InChI

InChI=1S/C17H17NO4/c1-21-16(19)11-6-7-12-9-22-15-5-3-2-4-13(15)17(20,10-18)14(12)8-11/h2-8,20H,9-10,18H2,1H3