(4-carbamimidoylphenyl) 4-[(E)-3-[ethyl(2-oxidanylideneethyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-3-[ethyl(2-oxidanylideneethyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-[ethyl(2-oxoethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[ethyl(2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-[ethyl(2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[ethyl(2-ketoethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-3-25(12-13-26)21(27)15(2)14-16-4-6-18(7-5-16)22(28)29-19-10-8-17(9-11-19)20(23)24/h4-11,13-14H,3,12H2,1-2H3,(H3,23,24)/b15-14+