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

Systemtic Name: ethyl 5-oxidanyl-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate CAS Name: 5-hydroxy-1-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate Traditional Name: 5-hydroxy-1-phenyl-2-[(4-phenylpiperazino)methyl]indole-3-carboxylic acid ethyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c1-2-34-28(33)27-24-19-23(32)13-14-25(24)31(22-11-7-4-8-12-22)26(27)20-29-15-17-30(18-16-29)21-9-5-3-6-10-21/h3-14,19,32H,2,15-18,20H2,1H3