(4-carbamimidoylphenyl) 4-[(Z)-3-[ethyl(4-methylpentan-2-yl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[ethyl(4-methylpentan-2-yl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[1,3-dimethylbutyl(ethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(Z)-3-[ethyl(4-methylpentan-2-yl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[ethyl(4-methylpentan-2-yl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-[1,3-dimethylbutyl(ethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O3/c1-6-29(19(5)15-17(2)3)25(30)18(4)16-20-7-9-22(10-8-20)26(31)32-23-13-11-21(12-14-23)24(27)28/h7-14,16-17,19H,6,15H2,1-5H3,(H3,27,28)/b18-16-