ethyl 2-methyl-5-oxidanyl-1-[(2S)-2-oxidanyl-2-phenyl-ethyl]indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanyl-1-[(2S)-2-oxidanyl-2-phenyl-ethyl]indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-[(2S)-2-hydroxy-2-phenyl-ethyl]-2-methyl-indole-3-carboxylate CAS Name: 5-hydroxy-1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-[(2S)-2-hydroxy-2-phenylethyl]-2-methylindole-3-carboxylate Traditional Name: 5-hydroxy-1-[(2S)-2-hydroxy-2-phenyl-ethyl]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CC(C3=CC=CC=C3)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C[C@H](C3=CC=CC=C3)O)C

InChI

InChI=1S/C20H21NO4/c1-3-25-20(24)19-13(2)21(17-10-9-15(22)11-16(17)19)12-18(23)14-7-5-4-6-8-14/h4-11,18,22-23H,3,12H2,1-2H3/t18-/m1/s1