methyl 11-(aminomethyl)-11-oxidanyl-6H-benzo[c][1]benzoxepine-8-carboxylate

Systemtic Name: methyl 11-(aminomethyl)-11-oxidanyl-6H-benzo[c][1]benzoxepine-8-carboxylate Openeye Name: methyl 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepine-8-carboxylate CAS Name: 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepin-8-carboxylic acid methyl ester IUPAC Name: methyl 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepine-8-carboxylate Traditional Name: 11-(aminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepin-8-carboxylic acid methyl ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(C3=CC=CC=C3OC2)(CN)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(C3=CC=CC=C3OC2)(CN)O

InChI

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