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

Systemtic Name: ethyl 4-[2-carbamimidoyl-4-[(2-oxidanylidenepyrrolidin-1-yl)methoxy]phenyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[2-carbamimidoyl-4-[(2-oxopyrrolidin-1-yl)methoxy]phenyl]benzoate Traditional Name: 4-[2-amidino-4-[(2-ketopyrrolidino)methoxy]phenyl]benzoic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-2-27-21(26)15-7-5-14(6-8-15)17-10-9-16(12-18(17)20(22)23)28-13-24-11-3-4-19(24)25/h5-10,12H,2-4,11,13H2,1H3,(H3,22,23)