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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-methyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-2-[(4-benzylpiperazino)methyl]-6-bromo-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C26H30BrN3O4 MolecularWeight: 528.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrN3O4/c1-4-33-26(32)25-20-14-24(34-18(2)31)21(27)15-22(20)28(3)23(25)17-30-12-10-29(11-13-30)16-19-8-6-5-7-9-19/h5-9,14-15H,4,10-13,16-17H2,1-3H3