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

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxo-ethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-keto-ethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1CCCCC1)C(=O)C(=CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCOC(=O)CN(C1CCCCC1)C(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N)/C

InChI

InChI=1S/C28H33N3O5/c1-3-35-25(32)18-31(23-7-5-4-6-8-23)27(33)19(2)17-20-9-11-22(12-10-20)28(34)36-24-15-13-21(14-16-24)26(29)30/h9-17,23H,3-8,18H2,1-2H3,(H3,29,30)/b19-17+