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

Systemtic Name: 2-[4-[4-(3-methoxyphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]-N,N-dimethyl-ethanamine Openeye Name: 2-[4-[4-(3-methoxyphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]-N,N-dimethyl-ethanamine CAS Name: 2-[4-[4-(3-methoxyphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]-N,N-dimethylethanamine IUPAC Name: 2-[4-[4-(3-methoxyphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]-N,N-dimethylethanamine Traditional Name: 2-[4-[4-(3-methoxyphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethyl-dimethyl-amine Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C2=C(CCOC3=CC=CC=C32)C4=CC(=CC=C4)OC

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)C2=C(CCOC3=CC=CC=C32)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H29NO3/c1-28(2)16-18-30-22-13-11-20(12-14-22)27-24(21-7-6-8-23(19-21)29-3)15-17-31-26-10-5-4-9-25(26)27/h4-14,19H,15-18H2,1-3H3