3-[3-[6-chloranyl-1-(diphenylmethyl)indol-3-yl]-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 3-[3-[6-chloranyl-1-(diphenylmethyl)indol-3-yl]-2-oxidanyl-propoxy]benzoic acid Openeye Name: 3-[3-(1-benzhydryl-6-chloro-indol-3-yl)-2-hydroxy-propoxy]benzoic acid CAS Name: 3-[3-[6-chloro-1-(diphenylmethyl)-3-indolyl]-2-hydroxypropoxy]benzoic acid IUPAC Name: 3-[3-(1-benzhydryl-6-chloroindol-3-yl)-2-hydroxypropoxy]benzoic acid Traditional Name: 3-[3-(1-benzhydryl-6-chloro-indol-3-yl)-2-hydroxy-propoxy]benzoic acid Formula: C31H26ClNO4 MolecularWeight: 511.99544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C4=C3C=C(C=C4)Cl)CC(COC5=CC=CC(=C5)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C4=C3C=C(C=C4)Cl)CC(COC5=CC=CC(=C5)C(=O)O)O

InChI

InChI=1S/C31H26ClNO4/c32-25-14-15-28-24(16-26(34)20-37-27-13-7-12-23(17-27)31(35)36)19-33(29(28)18-25)30(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-15,17-19,26,30,34H,16,20H2,(H,35,36)