[4-[6-oxidanyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-inden-2-yl]phenyl] methanesulfonate

Systemtic Name: [4-[6-oxidanyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-inden-2-yl]phenyl] methanesulfonate Openeye Name: [4-[6-hydroxy-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-inden-2-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[6-hydroxy-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1H-inden-2-yl]phenyl] ester IUPAC Name: [4-[6-hydroxy-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-inden-2-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[6-hydroxy-3-[4-(2-pyrrolidinoethoxy)benzyl]-1H-inden-2-yl]phenyl] ester Formula: C29H31NO5S MolecularWeight: 505.62514

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(C2)C=C(C=C3)O)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(C2)C=C(C=C3)O)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C29H31NO5S/c1-36(32,33)35-26-11-6-22(7-12-26)28-20-23-19-24(31)8-13-27(23)29(28)18-21-4-9-25(10-5-21)34-17-16-30-14-2-3-15-30/h4-13,19,31H,2-3,14-18,20H2,1H3