[3-bromanyl-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-methylbenzoate

Systemtic Name: [3-bromanyl-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-methylbenzoate Openeye Name: [3-bromo-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-bromo-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester IUPAC Name: [3-bromo-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-bromo-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3C(=C2C=NC4=CC=CC=C4)C5=C(O3)CCCC5)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3C(=C2C=NC4=CC=CC=C4)C5=C(O3)CCCC5)Br

InChI

InChI=1S/C27H22BrNO3/c1-17-11-13-18(14-12-17)27(30)32-26-21(16-29-19-7-3-2-4-8-19)25-20-9-5-6-10-23(20)31-24(25)15-22(26)28/h2-4,7-8,11-16H,5-6,9-10H2,1H3