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

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-3-[cyclopentyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-[cyclopentyl-(2-ethoxy-2-oxo-ethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[cyclopentyl-(2-ethoxy-2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-[cyclopentyl-(2-ethoxy-2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[cyclopentyl-(2-ethoxy-2-keto-ethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C27H31N3O5 MolecularWeight: 477.55214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1CCCC1)C(=O)C(=CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCOC(=O)CN(C1CCCC1)C(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N)/C

InChI

InChI=1S/C27H31N3O5/c1-3-34-24(31)17-30(22-6-4-5-7-22)26(32)18(2)16-19-8-10-21(11-9-19)27(33)35-23-14-12-20(13-15-23)25(28)29/h8-16,22H,3-7,17H2,1-2H3,(H3,28,29)/b18-16+