ethyl 5-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate hydrochloride

Systemtic Name: ethyl 5-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate hydrochloride Openeye Name: ethyl 5-[3-(azepan-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate hydrochloride CAS Name: 5-[3-(1-azepanyl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate hydrochloride Traditional Name: 5-[3-(azepan-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester hydrochloride Formula: C28H37ClN2O4 MolecularWeight: 501.05738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCCC3)O)C4=CC=C(C=C4)C)C.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCCC3)O)C4=CC=C(C=C4)C)C.Cl

InChI

InChI=1S/C28H36N2O4.ClH/c1-4-33-28(32)27-21(3)30(22-11-9-20(2)10-12-22)26-14-13-24(17-25(26)27)34-19-23(31)18-29-15-7-5-6-8-16-29;/h9-14,17,23,31H,4-8,15-16,18-19H2,1-3H3;1H