heptyl 4-[[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate

Systemtic Name: heptyl 4-[[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate Openeye Name: heptyl 4-[(5-bromo-1,3-dioxo-isoindolin-2-yl)methylamino]benzoate CAS Name: 4-[(5-bromo-1,3-dioxo-2-isoindolyl)methylamino]benzoic acid heptyl ester IUPAC Name: heptyl 4-[(5-bromo-1,3-dioxoisoindol-2-yl)methylamino]benzoate Traditional Name: 4-[(5-bromo-1,3-diketo-isoindolin-2-yl)methylamino]benzoic acid heptyl ester Formula: C23H25BrN2O4 MolecularWeight: 473.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C23H25BrN2O4/c1-2-3-4-5-6-13-30-23(29)16-7-10-18(11-8-16)25-15-26-21(27)19-12-9-17(24)14-20(19)22(26)28/h7-12,14,25H,2-6,13,15H2,1H3