(4-carbamimidoylphenyl) 4-[(E)-2-methyl-3-(2-methylpent-4-en-2-ylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-2-methyl-3-(2-methylpent-4-en-2-ylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-(1,1-dimethylbut-3-enylamino)-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-methyl-3-(2-methylpent-4-en-2-ylamino)-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-2-methyl-3-(2-methylpent-4-en-2-ylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(1,1-dimethylbut-3-enylamino)-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-5-14-24(3,4)27-22(28)16(2)15-17-6-8-19(9-7-17)23(29)30-20-12-10-18(11-13-20)21(25)26/h5-13,15H,1,14H2,2-4H3,(H3,25,26)(H,27,28)/b16-15+