methyl (Z)-3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]phenyl]but-2-enoate

Systemtic Name: methyl (Z)-3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]phenyl]but-2-enoate Openeye Name: methyl (Z)-3-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]phenyl]but-2-enoate CAS Name: (Z)-3-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]ethyl]phenyl]-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]phenyl]but-2-enoate Traditional Name: (Z)-3-[4-[2-[(4-amidinobenzoyl)amino]ethyl]phenyl]but-2-enoic acid methyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C/C(=C/C(=O)OC)/C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H23N3O3/c1-14(13-19(25)27-2)16-5-3-15(4-6-16)11-12-24-21(26)18-9-7-17(8-10-18)20(22)23/h3-10,13H,11-12H2,1-2H3,(H3,22,23)(H,24,26)/b14-13-