4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-[(3-bromophenyl)carbonylamino]ethanoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-[(3-bromophenyl)carbonylamino]ethanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-[(3-bromobenzoyl)amino]acetate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]acetic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-[(3-bromobenzoyl)amino]acetate Traditional Name: 2-[(3-bromobenzoyl)amino]acetic acid 4-phthalimidobutyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrN2O5/c22-15-7-5-6-14(12-15)19(26)23-13-18(25)29-11-4-3-10-24-20(27)16-8-1-2-9-17(16)21(24)28/h1-2,5-9,12H,3-4,10-11,13H2,(H,23,26)