methyl 5-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: methyl 5-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: methyl 5-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 5-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-2,3-dihydrobenzofuran-7-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 5-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]coumaran-7-carboxylic acid methyl ester Formula: C29H31NO6 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC(=C1)C3=CC4=C(C=C3)OC(CC4)CNCC(COC5=CC=CC=C5)O)CCO2

Isomeric SMILES

COC(=O)C1=C2C(=CC(=C1)C3=CC4=C(C=C3)OC(CC4)CNCC(COC5=CC=CC=C5)O)CCO2

InChI

InChI=1S/C29H31NO6/c1-33-29(32)26-15-22(14-21-11-12-34-28(21)26)19-8-10-27-20(13-19)7-9-25(36-27)17-30-16-23(31)18-35-24-5-3-2-4-6-24/h2-6,8,10,13-15,23,25,30-31H,7,9,11-12,16-18H2,1H3