[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid phthalimidomethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O5/c1-13(2)23-21(28)22-11-14-7-9-15(10-8-14)20(27)29-12-24-18(25)16-5-3-4-6-17(16)19(24)26/h3-10,13H,11-12H2,1-2H3,(H2,22,23,28)