3-[1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-5-carboxylic acid

Systemtic Name: 3-[1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-5-carboxylic acid Openeye Name: 1-benzyl-3-[2-hydroxy-1-[4-(2-methylallyl)piperazin-1-yl]-2-oxo-ethyl]indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)-1-piperazinyl]-2-oxoethyl]-1-(phenylmethyl)-5-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxoethyl]indole-5-carboxylic acid Traditional Name: 1-benzyl-3-[2-hydroxy-2-keto-1-[4-(2-methylallyl)piperazino]ethyl]indole-5-carboxylic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

InChI

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