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

Systemtic Name: methyl 4-[2-carbamimidoyl-4-[(2-oxidanylidenepyrrolidin-1-yl)methoxy]phenyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[2-carbamimidoyl-4-[(2-oxopyrrolidin-1-yl)methoxy]phenyl]benzoate Traditional Name: 4-[2-amidino-4-[(2-ketopyrrolidino)methoxy]phenyl]benzoic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-26-20(25)14-6-4-13(5-7-14)16-9-8-15(11-17(16)19(21)22)27-12-23-10-2-3-18(23)24/h4-9,11H,2-3,10,12H2,1H3,(H3,21,22)