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

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-5-oxidanyl-1H-indole-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-5-hydroxy-1H-indole-3-carboxylate CAS Name: 2-[4-(4-chlorophenyl)-1-piperazinyl]-5-hydroxy-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-5-hydroxy-1H-indole-3-carboxylate Traditional Name: 2-[4-(4-chlorophenyl)piperazino]-5-hydroxy-1H-indole-3-carboxylic acid ethyl ester Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3/c1-2-28-21(27)19-17-13-16(26)7-8-18(17)23-20(19)25-11-9-24(10-12-25)15-5-3-14(22)4-6-15/h3-8,13,23,26H,2,9-12H2,1H3