(2S)-2-[(2R)-7-(5-chloranyl-3-phenyl-indol-1-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid

Systemtic Name: (2S)-2-[(2R)-7-(5-chloranyl-3-phenyl-indol-1-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-7-(5-chloro-3-phenyl-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-7-(5-chloro-3-phenyl-1-indolyl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-7-(5-chloro-3-phenylindol-1-yl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-7-(5-chloro-3-phenyl-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-succinic acid Formula: C25H28ClNO6 MolecularWeight: 473.94592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C3=C2C=C(C=C3)Cl)CCCCCC(CC(CC(=O)O)(C(=O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C3=C2C=C(C=C3)Cl)CCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O

InChI

InChI=1S/C25H28ClNO6/c26-18-10-11-22-20(13-18)21(17-7-3-1-4-8-17)16-27(22)12-6-2-5-9-19(28)14-25(33,24(31)32)15-23(29)30/h1,3-4,7-8,10-11,13,16,19,28,33H,2,5-6,9,12,14-15H2,(H,29,30)(H,31,32)/t19-,25+/m1/s1