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

Systemtic Name: N,N-dimethyl-2-[4-[4-(3-methylphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethanamine Openeye Name: N,N-dimethyl-2-[4-[4-(m-tolyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethanamine CAS Name: N,N-dimethyl-2-[4-[4-(3-methylphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethanamine IUPAC Name: N,N-dimethyl-2-[4-[4-(3-methylphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethanamine Traditional Name: dimethyl-[2-[4-[4-(m-tolyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethyl]amine Formula: C27H29NO2 MolecularWeight: 399.52466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C3=CC=CC=C3OCC2)C4=CC=C(C=C4)OCCN(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C3=CC=CC=C3OCC2)C4=CC=C(C=C4)OCCN(C)C

InChI

InChI=1S/C27H29NO2/c1-20-7-6-8-22(19-20)24-15-17-30-26-10-5-4-9-25(26)27(24)21-11-13-23(14-12-21)29-18-16-28(2)3/h4-14,19H,15-18H2,1-3H3