[3-bromanyl-1-[(4-methylphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate

Systemtic Name: [3-bromanyl-1-[(4-methylphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate Openeye Name: [3-bromo-1-(p-tolyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate CAS Name: propanoic acid [3-bromo-1-[(4-methylphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester IUPAC Name: [3-bromo-1-[(4-methylphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate Traditional Name: propionic acid [3-bromo-1-(p-tolyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C2C(=C1C=NC3=CC=C(C=C3)C)C4=C(O2)CCCC4)Br

Isomeric SMILES

CCC(=O)OC1=C(C=C2C(=C1C=NC3=CC=C(C=C3)C)C4=C(O2)CCCC4)Br

InChI

InChI=1S/C23H22BrNO3/c1-3-21(26)28-23-17(13-25-15-10-8-14(2)9-11-15)22-16-6-4-5-7-19(16)27-20(22)12-18(23)24/h8-13H,3-7H2,1-2H3