diethyl 3-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-cyclohexyl-amino]pentanedioate

Systemtic Name: diethyl 3-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-cyclohexyl-amino]pentanedioate Openeye Name: diethyl 3-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-cyclohexyl-amino]pentanedioate CAS Name: 3-[[(E)-3-[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]-2-methyl-1-oxoprop-2-enyl]-cyclohexylamino]pentanedioic acid diethyl ester IUPAC Name: diethyl 3-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-cyclohexylamino]pentanedioate Traditional Name: 3-[[(E)-3-[4-(4-amidinophenoxy)carbonylphenyl]-2-methyl-acryloyl]-cyclohexyl-amino]glutaric acid diethyl ester Formula: C33H41N3O7 MolecularWeight: 591.69454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H41N3O7/c1-4-41-29(37)20-27(21-30(38)42-5-2)36(26-9-7-6-8-10-26)32(39)22(3)19-23-11-13-25(14-12-23)33(40)43-28-17-15-24(16-18-28)31(34)35/h11-19,26-27H,4-10,20-21H2,1-3H3,(H3,34,35)/b22-19+