ethyl 2-methyl-1-(4-methylphenyl)-5-[(2S)-2-oxidanyl-3-(3-oxidanylpropylamino)propoxy]indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-(4-methylphenyl)-5-[(2S)-2-oxidanyl-3-(3-oxidanylpropylamino)propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-hydroxy-3-(3-hydroxypropylamino)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-(3-hydroxypropylamino)propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-hydroxy-3-(3-hydroxypropylamino)propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[(2S)-2-hydroxy-3-(3-hydroxypropylamino)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5/c1-4-31-25(30)24-18(3)27(19-8-6-17(2)7-9-19)23-11-10-21(14-22(23)24)32-16-20(29)15-26-12-5-13-28/h6-11,14,20,26,28-29H,4-5,12-13,15-16H2,1-3H3/t20-/m0/s1