(4-carbamimidoylphenyl) (E)-3-[4-[ethyl(prop-2-enyl)carbamoyl]phenyl]but-2-enoate

Systemtic Name: (4-carbamimidoylphenyl) (E)-3-[4-[ethyl(prop-2-enyl)carbamoyl]phenyl]but-2-enoate Openeye Name: (4-carbamimidoylphenyl) (E)-3-[4-[allyl(ethyl)carbamoyl]phenyl]but-2-enoate CAS Name: (E)-3-[4-[[ethyl(prop-2-enyl)amino]-oxomethyl]phenyl]-2-butenoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) (E)-3-[4-[ethyl(prop-2-enyl)carbamoyl]phenyl]but-2-enoate Traditional Name: (E)-3-[4-[allyl(ethyl)carbamoyl]phenyl]but-2-enoic acid (4-amidinophenyl) ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=C)C(=O)C1=CC=C(C=C1)C(=CC(=O)OC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

CCN(CC=C)C(=O)C1=CC=C(C=C1)/C(=C/C(=O)OC2=CC=C(C=C2)C(=N)N)/C

InChI

InChI=1S/C23H25N3O3/c1-4-14-26(5-2)23(28)19-8-6-17(7-9-19)16(3)15-21(27)29-20-12-10-18(11-13-20)22(24)25/h4,6-13,15H,1,5,14H2,2-3H3,(H3,24,25)/b16-15+