2,2-dimethylpropanoyloxymethyl 4-[2-carbamimidoyl-4-[(2-oxidanylidenepyrrolidin-1-yl)methoxy]phenyl]benzoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-[2-carbamimidoyl-4-[(2-oxidanylidenepyrrolidin-1-yl)methoxy]phenyl]benzoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-[2-carbamimidoyl-4-[(2-oxopyrrolidin-1-yl)methoxy]phenyl]benzoate CAS Name: 4-[2-carbamimidoyl-4-[(2-oxo-1-pyrrolidinyl)methoxy]phenyl]benzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-[2-carbamimidoyl-4-[(2-oxopyrrolidin-1-yl)methoxy]phenyl]benzoate Traditional Name: 4-[2-amidino-4-[(2-ketopyrrolidino)methoxy]phenyl]benzoic acid pivaloyloxymethyl ester Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCN3CCCC3=O)C(=N)N

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCN3CCCC3=O)C(=N)N

InChI

InChI=1S/C25H29N3O6/c1-25(2,3)24(31)34-15-33-23(30)17-8-6-16(7-9-17)19-11-10-18(13-20(19)22(26)27)32-14-28-12-4-5-21(28)29/h6-11,13H,4-5,12,14-15H2,1-3H3,(H3,26,27)