(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C20H21ClN2O5/c1-12(2)23-20(25)22-9-13-3-5-15(6-4-13)19(24)26-10-14-7-16(21)18-17(8-14)27-11-28-18/h3-8,12H,9-11H2,1-2H3,(H2,22,23,25)