ethyl 6-bromanyl-2-[(4-bromanylphenoxy)methyl]-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-indole-3-carboxylate hydrate hydrochloride

Systemtic Name: ethyl 6-bromanyl-2-[(4-bromanylphenoxy)methyl]-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-indole-3-carboxylate hydrate hydrochloride Openeye Name: ethyl 6-bromo-2-[(4-bromophenoxy)methyl]-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-indole-3-carboxylate hydrate hydrochloride CAS Name: 6-bromo-2-[(4-bromophenoxy)methyl]-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester hydrate hydrochloride IUPAC Name: ethyl 6-bromo-2-[(4-bromophenoxy)methyl]-4-(dimethylaminomethyl)-5-hydroxy-1-methylindole-3-carboxylate hydrate hydrochloride Traditional Name: 6-bromo-2-[(4-bromophenoxy)methyl]-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester hydrate hydrochloride Formula: C22H27Br2ClN2O5 MolecularWeight: 594.72118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)COC3=CC=C(C=C3)Br.O.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)COC3=CC=C(C=C3)Br.O.Cl

InChI

InChI=1S/C22H24Br2N2O4.ClH.H2O/c1-5-29-22(28)20-18(12-30-14-8-6-13(23)7-9-14)26(4)17-10-16(24)21(27)15(19(17)20)11-25(2)3;;/h6-10,27H,5,11-12H2,1-4H3;1H;1H2