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

Systemtic Name: ethyl 6-bromanyl-5-oxidanyl-1-(phenylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-(phenylmethyl)-2-[(4-phenyl-1-piperazinyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-5-hydroxy-2-[(4-phenylpiperazino)methyl]indole-3-carboxylic acid ethyl ester Formula: C29H30BrN3O3 MolecularWeight: 548.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H30BrN3O3/c1-2-36-29(35)28-23-17-27(34)24(30)18-25(23)33(19-21-9-5-3-6-10-21)26(28)20-31-13-15-32(16-14-31)22-11-7-4-8-12-22/h3-12,17-18,34H,2,13-16,19-20H2,1H3