5-[[2-(3-phenyl-1,2-oxazol-5-yl)benzo[e]indol-3-yl]methyl]furan-3-carboxylic acid

Systemtic Name: 5-[[2-(3-phenyl-1,2-oxazol-5-yl)benzo[e]indol-3-yl]methyl]furan-3-carboxylic acid Openeye Name: 5-[[2-(3-phenylisoxazol-5-yl)benzo[e]indol-3-yl]methyl]furan-3-carboxylic acid CAS Name: 5-[[2-(3-phenyl-5-isoxazolyl)-3-benzo[e]indolyl]methyl]-3-furancarboxylic acid IUPAC Name: 5-[[2-(3-phenyl-1,2-oxazol-5-yl)benzo[e]indol-3-yl]methyl]furan-3-carboxylic acid Traditional Name: 5-[[2-(3-phenylisoxazol-5-yl)benz[e]indol-3-yl]methyl]-3-furoic acid Formula: C27H18N2O4 MolecularWeight: 434.44282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)C3=CC4=C(N3CC5=CC(=CO5)C(=O)O)C=CC6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)C3=CC4=C(N3CC5=CC(=CO5)C(=O)O)C=CC6=CC=CC=C64

InChI

InChI=1S/C27H18N2O4/c30-27(31)19-12-20(32-16-19)15-29-24-11-10-17-6-4-5-9-21(17)22(24)13-25(29)26-14-23(28-33-26)18-7-2-1-3-8-18/h1-14,16H,15H2,(H,30,31)