3-[[4-[(2-bromanyl-5-ethoxy-phenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

Systemtic Name: 3-[[4-[(2-bromanyl-5-ethoxy-phenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: 3-[[4-[(2-bromo-5-ethoxy-phenyl)methyl]-1-piperidyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: 3-[[4-[(2-bromo-5-ethoxyphenyl)methyl]-1-piperidinyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: 3-[[4-[(2-bromo-5-ethoxyphenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: 3-[[4-(2-bromo-5-ethoxy-benzyl)piperidino]methyl]-3,4-dihydro-2H-1,4-benzoxazine Formula: C23H29BrN2O2 MolecularWeight: 445.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3COC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3COC4=CC=CC=C4N3

InChI

InChI=1S/C23H29BrN2O2/c1-2-27-20-7-8-21(24)18(14-20)13-17-9-11-26(12-10-17)15-19-16-28-23-6-4-3-5-22(23)25-19/h3-8,14,17,19,25H,2,9-13,15-16H2,1H3