(phenylmethyl) (4S)-4-ethyl-6-oxidanyl-1-[(1S)-1-phenylethyl]-2,4-dihydropyrimidine-3-carboxylate

Systemtic Name: (phenylmethyl) (4S)-4-ethyl-6-oxidanyl-1-[(1S)-1-phenylethyl]-2,4-dihydropyrimidine-3-carboxylate Openeye Name: benzyl (4S)-4-ethyl-6-hydroxy-1-[(1S)-1-phenylethyl]-2,4-dihydropyrimidine-3-carboxylate CAS Name: (4S)-4-ethyl-6-hydroxy-1-[(1S)-1-phenylethyl]-2,4-dihydropyrimidine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-ethyl-6-hydroxy-1-[(1S)-1-phenylethyl]-2,4-dihydropyrimidine-3-carboxylate Traditional Name: (4S)-4-ethyl-6-hydroxy-1-[(1S)-1-phenylethyl]-2,4-dihydropyrimidine-3-carboxylic acid benzyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(N(CN1C(=O)OCC2=CC=CC=C2)C(C)C3=CC=CC=C3)O

Isomeric SMILES

CC[C@H]1C=C(N(CN1C(=O)OCC2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3)O

InChI

InChI=1S/C22H26N2O3/c1-3-20-14-21(25)23(17(2)19-12-8-5-9-13-19)16-24(20)22(26)27-15-18-10-6-4-7-11-18/h4-14,17,20,25H,3,15-16H2,1-2H3/t17-,20-/m0/s1