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

Systemtic Name: ethyl 1-methyl-5-oxidanyl-2-(4-phenylpiperazin-1-yl)indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-methyl-2-(4-phenylpiperazin-1-yl)indole-3-carboxylate CAS Name: 5-hydroxy-1-methyl-2-(4-phenyl-1-piperazinyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-methyl-2-(4-phenylpiperazin-1-yl)indole-3-carboxylate Traditional Name: 5-hydroxy-1-methyl-2-(4-phenylpiperazino)indole-3-carboxylic acid ethyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-3-28-22(27)20-18-15-17(26)9-10-19(18)23(2)21(20)25-13-11-24(12-14-25)16-7-5-4-6-8-16/h4-10,15,26H,3,11-14H2,1-2H3