ethyl 5-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 5-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCC4=CC=CC=C4C3)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](CN3CCC4=CC=CC=C4C3)O)C)C

InChI

InChI=1S/C25H30N2O4/c1-4-30-25(29)24-17(2)26(3)23-10-9-21(13-22(23)24)31-16-20(28)15-27-12-11-18-7-5-6-8-19(18)14-27/h5-10,13,20,28H,4,11-12,14-16H2,1-3H3/t20-/m0/s1