4-[5-chloranyl-1-[(4-dibenzofuran-1-ylphenyl)methyl]indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-chloranyl-1-[(4-dibenzofuran-1-ylphenyl)methyl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-chloro-1-[(4-dibenzofuran-1-ylphenyl)methyl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-chloro-1-[[4-(1-dibenzofuranyl)phenyl]methyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-chloro-1-[(4-dibenzofuran-1-ylphenyl)methyl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-chloro-1-(4-dibenzofuran-1-ylbenzyl)indol-3-yl]-4-keto-butyric acid Formula: C31H22ClNO4 MolecularWeight: 507.96368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=CC=C3O2)C4=CC=C(C=C4)CN5C=C(C6=C5C=CC(=C6)Cl)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C=CC=C3O2)C4=CC=C(C=C4)CN5C=C(C6=C5C=CC(=C6)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C31H22ClNO4/c32-21-12-13-26-24(16-21)25(27(34)14-15-30(35)36)18-33(26)17-19-8-10-20(11-9-19)22-5-3-7-29-31(22)23-4-1-2-6-28(23)37-29/h1-13,16,18H,14-15,17H2,(H,35,36)