ethyl 2-[[(2-methylpropan-2-yl)oxycarbonyl-(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylate

Systemtic Name: ethyl 2-[[(2-methylpropan-2-yl)oxycarbonyl-(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylate Openeye Name: ethyl 2-[[tert-butoxycarbonyl-[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chromane-6-carboxylate CAS Name: 2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-hydroxy-2-pyridin-3-ylethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylate Traditional Name: 2-[[tert-butoxycarbonyl-[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-carboxylic acid ethyl ester Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC(CC2)CN(CC(C3=CN=CC=C3)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC(CC2)CN(CC(C3=CN=CC=C3)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32N2O6/c1-5-31-23(29)18-9-11-22-17(13-18)8-10-20(32-22)15-27(24(30)33-25(2,3)4)16-21(28)19-7-6-12-26-14-19/h6-7,9,11-14,20-21,28H,5,8,10,15-16H2,1-4H3