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

Systemtic Name: methyl 11-(dimethylaminomethyl)-11-oxidanyl-6H-benzo[c][1]benzoxepine-9-carboxylate Openeye Name: methyl 11-(dimethylaminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepine-9-carboxylate CAS Name: 11-(dimethylaminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepin-9-carboxylic acid methyl ester IUPAC Name: methyl 11-(dimethylaminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepine-9-carboxylate Traditional Name: 11-(dimethylaminomethyl)-11-hydroxy-6H-benzo[c][1]benzoxepin-9-carboxylic acid methyl ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1(C2=CC=CC=C2OCC3=C1C=C(C=C3)C(=O)OC)O

Isomeric SMILES

CN(C)CC1(C2=CC=CC=C2OCC3=C1C=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C19H21NO4/c1-20(2)12-19(22)15-6-4-5-7-17(15)24-11-14-9-8-13(10-16(14)19)18(21)23-3/h4-10,22H,11-12H2,1-3H3