5-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-11,12-dihydro-6H-benzo[c][1]benzazocine hydrate

Systemtic Name: 5-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-11,12-dihydro-6H-benzo[c][1]benzazocine hydrate Openeye Name: 5-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)-11,12-dihydro-6H-benzo[c][1]benzazocine hydrate CAS Name: 5-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-11,12-dihydro-6H-benzo[c][1]benzazocine hydrate IUPAC Name: 5-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-11,12-dihydro-6H-benzo[c][1]benzazocine hydrate Traditional Name: 5-(3-isobutoxy-2-pyrrolidino-propyl)-11,12-dihydro-6H-benzo[c][1]benzazocine hydrate Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN1CC2=CC=CC=C2CCC3=CC=CC=C31)N4CCCC4.O

Isomeric SMILES

CC(C)COCC(CN1CC2=CC=CC=C2CCC3=CC=CC=C31)N4CCCC4.O

InChI

InChI=1S/C26H36N2O.H2O/c1-21(2)19-29-20-25(27-15-7-8-16-27)18-28-17-24-11-4-3-9-22(24)13-14-23-10-5-6-12-26(23)28;/h3-6,9-12,21,25H,7-8,13-20H2,1-2H3;1H2