ethyl 5-[(2S)-3-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-3-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[(2S)-3-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)-2-hydroxy-propoxy]-2-methyl-indole-3-carboxylate CAS Name: 5-[(2S)-3-(4,6-dimethyl-2-oxo-1-pyrimidinyl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[(2S)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-hydroxypropoxy]-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-5-[(2S)-2-hydroxy-3-(2-keto-4,6-dimethyl-pyrimidin-1-yl)propoxy]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=CC(=NC3=O)C)C)O)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](CN3C(=CC(=NC3=O)C)C)O)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H31N3O5/c1-5-35-27(33)26-20(4)31(15-21-9-7-6-8-10-21)25-12-11-23(14-24(25)26)36-17-22(32)16-30-19(3)13-18(2)29-28(30)34/h6-14,22,32H,5,15-17H2,1-4H3/t22-/m0/s1