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

Systemtic Name: (phenylmethyl) 2-[[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylate Openeye Name: benzyl 2-[[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chromane-6-carboxylate CAS Name: 2-[[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylate Traditional Name: 2-[[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-carboxylic acid benzyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)OC1CNCC(C4=CN=CC=C4)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)OC1CNC[C@@H](C4=CN=CC=C4)O

InChI

InChI=1S/C25H26N2O4/c28-23(21-7-4-12-26-14-21)16-27-15-22-10-8-19-13-20(9-11-24(19)31-22)25(29)30-17-18-5-2-1-3-6-18/h1-7,9,11-14,22-23,27-28H,8,10,15-17H2/t22?,23-/m0/s1