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

Systemtic Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[(2-ethoxy-2-oxidanylidene-ethyl)-prop-2-ynyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[(2-ethoxy-2-oxo-ethyl)-prop-2-ynyl-amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(Z)-3-[(2-ethoxy-2-oxoethyl)-prop-2-ynylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[(2-ethoxy-2-oxoethyl)-prop-2-ynylamino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-[(2-ethoxy-2-keto-ethyl)-propargyl-amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C25H25N3O5 MolecularWeight: 447.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC#C)C(=O)C(=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

CCOC(=O)CN(CC#C)C(=O)/C(=C\C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C

InChI

InChI=1S/C25H25N3O5/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/h1,6-13,15H,5,14,16H2,2-3H3,(H3,26,27)/b17-15-