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

Systemtic Name: ethyl 1-(4-methoxyphenyl)-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]indole-3-carboxylate CAS Name: 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-[(4-methyl-1-piperazinyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]indole-3-carboxylate Traditional Name: 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-[(4-methylpiperazino)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCN(CC3)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCN(CC3)C)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H31N3O4/c1-5-32-25(30)23-17(2)28(18-6-8-19(31-4)9-7-18)21-10-11-22(29)20(24(21)23)16-27-14-12-26(3)13-15-27/h6-11,29H,5,12-16H2,1-4H3