4-[3-[6-chloranyl-1-(diphenylmethyl)indol-3-yl]-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 4-[3-[6-chloranyl-1-(diphenylmethyl)indol-3-yl]-2-oxidanyl-propoxy]benzoic acid Openeye Name: 4-[3-(1-benzhydryl-6-chloro-indol-3-yl)-2-hydroxy-propoxy]benzoic acid CAS Name: 4-[3-[6-chloro-1-(diphenylmethyl)-3-indolyl]-2-hydroxypropoxy]benzoic acid IUPAC Name: 4-[3-(1-benzhydryl-6-chloroindol-3-yl)-2-hydroxypropoxy]benzoic acid Traditional Name: 4-[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=C(C=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=C(C=C5)C(=O)O)O

InChI

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