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

Systemtic Name: 2-[[(2-methylpropan-2-yl)oxycarbonyl-(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylic acid Openeye Name: 2-[[tert-butoxycarbonyl-[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chromane-6-carboxylic acid 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 IUPAC Name: 2-[[(2-hydroxy-2-pyridin-3-ylethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylic acid Traditional Name: 2-[[tert-butoxycarbonyl-[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-carboxylic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1CCC2=C(O1)C=CC(=C2)C(=O)O)CC(C3=CN=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1CCC2=C(O1)C=CC(=C2)C(=O)O)CC(C3=CN=CC=C3)O

InChI

InChI=1S/C23H28N2O6/c1-23(2,3)31-22(29)25(14-19(26)17-5-4-10-24-12-17)13-18-8-6-15-11-16(21(27)28)7-9-20(15)30-18/h4-5,7,9-12,18-19,26H,6,8,13-14H2,1-3H3,(H,27,28)