methyl 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-3-oxidanyl-4,5-dihydro-3H-1-benzoxepine-2-carboxylate

Systemtic Name: methyl 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-3-oxidanyl-4,5-dihydro-3H-1-benzoxepine-2-carboxylate Openeye Name: methyl 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-3-hydroxy-4,5-dihydro-3H-1-benzoxepine-2-carboxylate CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-3-hydroxy-4,5-dihydro-3H-1-benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-3-hydroxy-4,5-dihydro-3H-1-benzoxepine-2-carboxylate Traditional Name: 2-[3-[homoveratryl(methyl)amino]propyl]-3-hydroxy-4,5-dihydro-3H-1-benzoxepin-2-carboxylic acid methyl ester Formula: C26H35NO6 MolecularWeight: 457.5592

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1(C(CCC2=CC=CC=C2O1)O)C(=O)OC)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCC1(C(CCC2=CC=CC=C2O1)O)C(=O)OC)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H35NO6/c1-27(17-14-19-10-12-22(30-2)23(18-19)31-3)16-7-15-26(25(29)32-4)24(28)13-11-20-8-5-6-9-21(20)33-26/h5-6,8-10,12,18,24,28H,7,11,13-17H2,1-4H3