[1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-yl]carbamic acid

Systemtic Name: [1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-yl]carbamic acid Openeye Name: [1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-yl]carbamic acid CAS Name: [1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-3-pyrrolidinyl]carbamic acid IUPAC Name: [1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-yl]carbamic acid Traditional Name: [1-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]pyrrolidin-3-yl]carbamic acid Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCC(C3)NC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCC(C3)NC(=O)O

InChI

InChI=1S/C20H23BrN2O3S/c1-26-18-7-6-16(21)10-15(18)13-27-19-5-3-2-4-14(19)11-23-9-8-17(12-23)22-20(24)25/h2-7,10,17,22H,8-9,11-13H2,1H3,(H,24,25)