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

Systemtic Name: 3-[1-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[1-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[1-(4-benzhydrylpiperazino)-2-hydroxy-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4/c1-30-23-15-9-8-14-22(23)24(26(30)28(33)34)27(29(35)36)32-18-16-31(17-19-32)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,25,27H,16-19H2,1H3,(H,33,34)(H,35,36)