ethyl 5-oxidanyl-2-[4-[4-(phenylmethyl)phenyl]piperazin-1-yl]-1H-indole-3-carboxylate

Systemtic Name: ethyl 5-oxidanyl-2-[4-[4-(phenylmethyl)phenyl]piperazin-1-yl]-1H-indole-3-carboxylate Openeye Name: ethyl 2-[4-(4-benzylphenyl)piperazin-1-yl]-5-hydroxy-1H-indole-3-carboxylate CAS Name: 5-hydroxy-2-[4-[4-(phenylmethyl)phenyl]-1-piperazinyl]-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-benzylphenyl)piperazin-1-yl]-5-hydroxy-1H-indole-3-carboxylate Traditional Name: 2-[4-(4-benzylphenyl)piperazino]-5-hydroxy-1H-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(NC2=C1C=C(C=C2)O)N3CCN(CC3)C4=CC=C(C=C4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(NC2=C1C=C(C=C2)O)N3CCN(CC3)C4=CC=C(C=C4)CC5=CC=CC=C5

InChI

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