3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylic acid Openeye Name: 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid CAS Name: 3-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid IUPAC Name: 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid Traditional Name: 3-[[2-[4-(2-methoxyphenyl)piperazino]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C4=CC=CC=C4OC)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C4=CC=CC=C4OC)C(=O)O

InChI

InChI=1S/C23H26N4O4/c1-15-7-8-17-16(13-15)21(22(24-17)23(29)30)25-20(28)14-26-9-11-27(12-10-26)18-5-3-4-6-19(18)31-2/h3-8,13,24H,9-12,14H2,1-2H3,(H,25,28)(H,29,30)