methanesulfonate; methyl 4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoate

Systemtic Name: methanesulfonate; methyl 4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoate Openeye Name: methanesulfonate; methyl 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoate CAS Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid methyl ester; methanesulfonate IUPAC Name: methanesulfonate; methyl 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoate Traditional Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid methyl ester mesylate Formula: C28H32NO8S- MolecularWeight: 542.62058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O.CS(=O)(=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C27H29NO5.CH4O3S/c1-31-27(30)20-9-7-19(8-10-20)21-12-14-26-22(15-21)11-13-25(33-26)17-28-16-23(29)18-32-24-5-3-2-4-6-24;1-5(2,3)4/h2-10,12,14-15,23,25,28-29H,11,13,16-18H2,1H3;1H3,(H,2,3,4)/p-1