methyl 11-(aminomethyl)-11-oxidanyl-6H-benzo[c][1]benzoxepine-4-carboxylate

Systemtic Name: methyl 11-(aminomethyl)-11-oxidanyl-6H-benzo[c][1]benzoxepine-4-carboxylate Openeye Name: methyl 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepine-4-carboxylate CAS Name: 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepine-4-carboxylate Traditional Name: 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepin-4-carboxylic acid methyl ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)C(C3=CC=CC=C3CO2)(CN)O

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)C(C3=CC=CC=C3CO2)(CN)O

InChI

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