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

Systemtic Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[(2-ethoxy-2-oxidanylidene-ethyl)-hexyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[(2-ethoxy-2-oxo-ethyl)-hexyl-amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(Z)-3-[(2-ethoxy-2-oxoethyl)-hexylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[(2-ethoxy-2-oxoethyl)-hexylamino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-[(2-ethoxy-2-keto-ethyl)-hexyl-amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC(=O)OCC)C(=O)C(=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O5/c1-4-6-7-8-17-31(19-25(32)35-5-2)27(33)20(3)18-21-9-11-23(12-10-21)28(34)36-24-15-13-22(14-16-24)26(29)30/h9-16,18H,4-8,17,19H2,1-3H3,(H3,29,30)/b20-18-