ethyl 5-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate hydrochloride

Systemtic Name: ethyl 5-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate hydrochloride Openeye Name: ethyl 5-[3-(azepan-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylate hydrochloride CAS Name: 5-[3-(1-azepanyl)-2-hydroxypropoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate hydrochloride Traditional Name: 5-[3-(azepan-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester hydrochloride Formula: C22H33ClN2O4 MolecularWeight: 424.96142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCCC3)O)C)C.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCCC3)O)C)C.Cl

InChI

InChI=1S/C22H32N2O4.ClH/c1-4-27-22(26)21-16(2)23(3)20-10-9-18(13-19(20)21)28-15-17(25)14-24-11-7-5-6-8-12-24;/h9-10,13,17,25H,4-8,11-12,14-15H2,1-3H3;1H