(phenylmethyl) 5-oxidanylidene-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 5-oxidanylidene-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Openeye Name: benzyl 5-oxo-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate CAS Name: 5-oxo-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-oxo-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Traditional Name: 5-keto-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylic acid benzyl ester Formula: C27H25N2O4+ MolecularWeight: 441.4984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CC3=C(N(C2)C(=O)OCC4=CC=CC=C4)OC5=CC=CC=C5C3=O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CC3=C(N(C2)C(=O)OCC4=CC=CC=C4)OC5=CC=CC=C5C3=O

InChI

InChI=1S/C27H24N2O4/c1-19(21-12-6-3-7-13-21)28-16-23-25(30)22-14-8-9-15-24(22)33-26(23)29(18-28)27(31)32-17-20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3/p+1/t19-/m1/s1