(4-carbamimidoylphenyl) 4-[(E)-4-oxidanylidene-4-(pentan-2-ylamino)but-2-en-2-yl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-4-oxidanylidene-4-(pentan-2-ylamino)but-2-en-2-yl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-1-methyl-3-(1-methylbutylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-4-oxo-4-(pentan-2-ylamino)but-2-en-2-yl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-4-oxo-4-(pentan-2-ylamino)but-2-en-2-yl]benzoate Traditional Name: 4-[(E)-3-keto-1-methyl-3-(1-methylbutylamino)prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-4-5-16(3)26-21(27)14-15(2)17-6-8-19(9-7-17)23(28)29-20-12-10-18(11-13-20)22(24)25/h6-14,16H,4-5H2,1-3H3,(H3,24,25)(H,26,27)/b15-14+