methyl 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate

Systemtic Name: methyl 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate CAS Name: 3-[4-[4-(3-methoxyphenyl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Traditional Name: 3-[4-[4-(3-methoxyphenyl)piperazino]butyl]-1H-indole-5-carboxylic acid methyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H31N3O3/c1-30-22-8-5-7-21(17-22)28-14-12-27(13-15-28)11-4-3-6-20-18-26-24-10-9-19(16-23(20)24)25(29)31-2/h5,7-10,16-18,26H,3-4,6,11-15H2,1-2H3