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

Systemtic Name: (phenylmethyl) 4-[2-carbamimidoyl-4-[(2-oxidanylidenepyrrolidin-1-yl)methoxy]phenyl]benzoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 4-[2-carbamimidoyl-4-[(2-oxopyrrolidin-1-yl)methoxy]phenyl]benzoate Traditional Name: 4-[2-amidino-4-[(2-ketopyrrolidino)methoxy]phenyl]benzoic acid benzyl ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)COC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

Isomeric SMILES

C1CC(=O)N(C1)COC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C26H25N3O4/c27-25(28)23-15-21(33-17-29-14-4-7-24(29)30)12-13-22(23)19-8-10-20(11-9-19)26(31)32-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,15H,4,7,14,16-17H2,(H3,27,28)