(4-carbamimidoylphenyl) 4-[(1E,3E)-5-oxidanylidene-5-(pentan-2-ylamino)penta-1,3-dienyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(1E,3E)-5-oxidanylidene-5-(pentan-2-ylamino)penta-1,3-dienyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(1E,3E)-5-(1-methylbutylamino)-5-oxo-penta-1,3-dienyl]benzoate CAS Name: 4-[(1E,3E)-5-oxo-5-(pentan-2-ylamino)penta-1,3-dienyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(1E,3E)-5-oxo-5-(pentan-2-ylamino)penta-1,3-dienyl]benzoate Traditional Name: 4-[(1E,3E)-5-keto-5-(1-methylbutylamino)penta-1,3-dienyl]benzoic acid (4-amidinophenyl) ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C=CC=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-3-6-17(2)27-22(28)8-5-4-7-18-9-11-20(12-10-18)24(29)30-21-15-13-19(14-16-21)23(25)26/h4-5,7-17H,3,6H2,1-2H3,(H3,25,26)(H,27,28)/b7-4+,8-5+