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

Systemtic Name: 4-[5-chloranyl-1-[[4-(dibenzofuran-1-ylamino)phenyl]methyl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-chloro-1-[[4-(dibenzofuran-1-ylamino)phenyl]methyl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-chloro-1-[[4-(1-dibenzofuranylamino)phenyl]methyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-chloro-1-[[4-(dibenzofuran-1-ylamino)phenyl]methyl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-chloro-1-[4-(dibenzofuran-1-ylamino)benzyl]indol-3-yl]-4-keto-butyric acid Formula: C31H23ClN2O4 MolecularWeight: 522.97832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=CC=C3O2)NC4=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)NC4=CC=C(C=C4)CN5C=C(C6=C5C=CC(=C6)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C31H23ClN2O4/c32-20-10-13-26-23(16-20)24(27(35)14-15-30(36)37)18-34(26)17-19-8-11-21(12-9-19)33-25-5-3-7-29-31(25)22-4-1-2-6-28(22)38-29/h1-13,16,18,33H,14-15,17H2,(H,36,37)