3-[1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-[1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-[2-hydroxy-1-[4-(2-methylallyl)piperazin-1-yl]-2-oxo-ethyl]indole-2-carboxylic acid CAS Name: 3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)-1-piperazinyl]-2-oxoethyl]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxoethyl]indole-2-carboxylic acid Traditional Name: 1-benzyl-3-[2-hydroxy-2-keto-1-[4-(2-methylallyl)piperazino]ethyl]indole-2-carboxylic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)C(C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC(=C)CN1CCN(CC1)C(C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C26H29N3O4/c1-18(2)16-27-12-14-28(15-13-27)23(25(30)31)22-20-10-6-7-11-21(20)29(24(22)26(32)33)17-19-8-4-3-5-9-19/h3-11,23H,1,12-17H2,2H3,(H,30,31)(H,32,33)