N,N-diethyl-2-[4-(4-phenyl-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]ethanamine

Systemtic Name: N,N-diethyl-2-[4-(4-phenyl-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]ethanamine Openeye Name: N,N-diethyl-2-[4-(4-phenyl-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]ethanamine CAS Name: N,N-diethyl-2-[4-(4-phenyl-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]ethanamine IUPAC Name: N,N-diethyl-2-[4-(4-phenyl-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]ethanamine Traditional Name: diethyl-[2-[4-(4-phenyl-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]ethyl]amine Formula: C28H31NO2 MolecularWeight: 413.55124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C2=C(CCOC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)C2=C(CCOC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C28H31NO2/c1-3-29(4-2)19-21-30-24-16-14-23(15-17-24)28-25(22-10-6-5-7-11-22)18-20-31-27-13-9-8-12-26(27)28/h5-17H,3-4,18-21H2,1-2H3