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

Systemtic Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[(2-ethoxy-2-oxidanylidene-ethyl)-propyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[(2-ethoxy-2-oxo-ethyl)-propyl-amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(Z)-3-[(2-ethoxy-2-oxoethyl)-propylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[(2-ethoxy-2-oxoethyl)-propylamino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-[(2-ethoxy-2-keto-ethyl)-propyl-amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCN(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/C25H29N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h6-13,15H,4-5,14,16H2,1-3H3,(H3,26,27)/b17-15-