2-[4-(2-methylprop-2-enoxycarbonyl)piperazin-1-yl]-1-phenyl-4-piperazin-1-ylcarbonyl-indole-3-carboxylic acid

Systemtic Name: 2-[4-(2-methylprop-2-enoxycarbonyl)piperazin-1-yl]-1-phenyl-4-piperazin-1-ylcarbonyl-indole-3-carboxylic acid Openeye Name: 2-[4-(2-methylallyloxycarbonyl)piperazin-1-yl]-1-phenyl-4-(piperazine-1-carbonyl)indole-3-carboxylic acid CAS Name: 2-[4-[2-methylprop-2-enoxy(oxo)methyl]-1-piperazinyl]-4-[oxo(1-piperazinyl)methyl]-1-phenyl-3-indolecarboxylic acid IUPAC Name: 2-[4-(2-methylprop-2-enoxycarbonyl)piperazin-1-yl]-1-phenyl-4-(piperazine-1-carbonyl)indole-3-carboxylic acid Traditional Name: 2-[4-(2-methylallyloxycarbonyl)piperazino]-1-phenyl-4-(piperazine-1-carbonyl)indole-3-carboxylic acid Formula: C29H33N5O5 MolecularWeight: 531.60282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC(=O)N1CCN(CC1)C2=C(C3=C(C=CC=C3N2C4=CC=CC=C4)C(=O)N5CCNCC5)C(=O)O

Isomeric SMILES

CC(=C)COC(=O)N1CCN(CC1)C2=C(C3=C(C=CC=C3N2C4=CC=CC=C4)C(=O)N5CCNCC5)C(=O)O

InChI

InChI=1S/C29H33N5O5/c1-20(2)19-39-29(38)33-17-15-31(16-18-33)26-25(28(36)37)24-22(27(35)32-13-11-30-12-14-32)9-6-10-23(24)34(26)21-7-4-3-5-8-21/h3-10,30H,1,11-19H2,2H3,(H,36,37)