2-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-1-phenyl-indole-3-carboxylic acid

Systemtic Name: 2-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-1-phenyl-indole-3-carboxylic acid Openeye Name: 2-(4-isobutoxycarbonylpiperazin-1-yl)-1-phenyl-indole-3-carboxylic acid CAS Name: 2-[4-[2-methylpropoxy(oxo)methyl]-1-piperazinyl]-1-phenyl-3-indolecarboxylic acid IUPAC Name: 2-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-1-phenylindole-3-carboxylic acid Traditional Name: 2-(4-isobutoxycarbonylpiperazino)-1-phenyl-indole-3-carboxylic acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCN(CC1)C2=C(C3=CC=CC=C3N2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)COC(=O)N1CCN(CC1)C2=C(C3=CC=CC=C3N2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H27N3O4/c1-17(2)16-31-24(30)26-14-12-25(13-15-26)22-21(23(28)29)19-10-6-7-11-20(19)27(22)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,28,29)