(4-carbamimidoylphenyl) 4-[2-oxidanylidene-2-(pentan-2-ylamino)ethoxy]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[2-oxidanylidene-2-(pentan-2-ylamino)ethoxy]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[2-(1-methylbutylamino)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoate Traditional Name: 4-[2-keto-2-(1-methylbutylamino)ethoxy]benzoic acid (4-amidinophenyl) ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCC(C)NC(=O)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H25N3O4/c1-3-4-14(2)24-19(25)13-27-17-9-7-16(8-10-17)21(26)28-18-11-5-15(6-12-18)20(22)23/h5-12,14H,3-4,13H2,1-2H3,(H3,22,23)(H,24,25)