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

Systemtic Name: (2S)-2-[(2R)-7-[5-chloranyl-3-(phenylmethyl)indol-1-yl]-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-7-(3-benzyl-5-chloro-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-7-[5-chloro-3-(phenylmethyl)-1-indolyl]-2-hydroxyheptyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-7-(3-benzyl-5-chloroindol-1-yl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-7-(3-benzyl-5-chloro-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-succinic acid Formula: C26H30ClNO6 MolecularWeight: 487.9725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C3=C2C=C(C=C3)Cl)CCCCCC(CC(CC(=O)O)(C(=O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C3=C2C=C(C=C3)Cl)CCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O

InChI

InChI=1S/C26H30ClNO6/c27-20-10-11-23-22(14-20)19(13-18-7-3-1-4-8-18)17-28(23)12-6-2-5-9-21(29)15-26(34,25(32)33)16-24(30)31/h1,3-4,7-8,10-11,14,17,21,29,34H,2,5-6,9,12-13,15-16H2,(H,30,31)(H,32,33)/t21-,26+/m1/s1