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

Systemtic Name: 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylic acid Openeye Name: 3-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid CAS Name: 3-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid IUPAC Name: 3-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid Traditional Name: 3-[[2-[4-(3-chlorophenyl)piperazino]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3/c1-14-5-6-18-17(11-14)20(21(24-18)22(29)30)25-19(28)13-26-7-9-27(10-8-26)16-4-2-3-15(23)12-16/h2-6,11-12,24H,7-10,13H2,1H3,(H,25,28)(H,29,30)