2-[2-[(4-bromophenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1H-indol-3-yl]ethyl benzoate

Systemtic Name: 2-[2-[(4-bromophenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1H-indol-3-yl]ethyl benzoate Openeye Name: 2-[2-[(4-bromophenyl)-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-1H-indol-3-yl]ethyl benzoate CAS Name: benzoic acid 2-[2-[(4-bromophenyl)-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-1H-indol-3-yl]ethyl ester IUPAC Name: 2-[2-[(4-bromophenyl)-(2-hydroxy-4-oxochromen-3-yl)methyl]-1H-indol-3-yl]ethyl benzoate Traditional Name: benzoic acid 2-[2-[(4-bromophenyl)-(2-hydroxy-4-keto-chromen-3-yl)methyl]-1H-indol-3-yl]ethyl ester Formula: C33H24BrNO5 MolecularWeight: 594.45136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCC2=C(NC3=CC=CC=C32)C(C4=CC=C(C=C4)Br)C5=C(OC6=CC=CC=C6C5=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCC2=C(NC3=CC=CC=C32)C(C4=CC=C(C=C4)Br)C5=C(OC6=CC=CC=C6C5=O)O

InChI

InChI=1S/C33H24BrNO5/c34-22-16-14-20(15-17-22)28(29-31(36)25-11-5-7-13-27(25)40-33(29)38)30-24(23-10-4-6-12-26(23)35-30)18-19-39-32(37)21-8-2-1-3-9-21/h1-17,28,35,38H,18-19H2