(phenylmethyl) 6-[5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6-[5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 6-[5-(hydroxymethyl)-2-oxo-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[5-(hydroxymethyl)-2-oxo-3-oxazolidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-(2-keto-5-methylol-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)N3CC(OC3=O)CO)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)N3CC(OC3=O)CO)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O5/c24-13-19-12-23(21(26)28-19)18-7-6-17-11-22(9-8-16(17)10-18)20(25)27-14-15-4-2-1-3-5-15/h1-7,10,19,24H,8-9,11-14H2