ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]indole-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 2-[(4-benzylpiperazino)methyl]-6-bromo-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C24H28BrN3O3 MolecularWeight: 486.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28BrN3O3/c1-3-31-24(30)23-18-13-22(29)19(25)14-20(18)26(2)21(23)16-28-11-9-27(10-12-28)15-17-7-5-4-6-8-17/h4-8,13-14,29H,3,9-12,15-16H2,1-2H3