methyl 11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C)CCCC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25NO3/c1-22(2)12-6-9-18-17-8-5-4-7-16(17)14-25-20-11-10-15(13-19(18)20)21(23)24-3/h4-5,7-8,10-11,13,18H,6,9,12,14H2,1-3H3