1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]indole-2-carboxylic acid Openeye Name: 3-[1-[4-[(E)-cinnamyl]piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[1-[4-[(E)-cinnamyl]piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-26-20-12-6-5-11-19(20)21(22(26)24(29)30)23(25(31)32)28-16-14-27(15-17-28)13-7-10-18-8-3-2-4-9-18/h2-12,23H,13-17H2,1H3,(H,29,30)(H,31,32)/b10-7+