(4-carbamimidoylphenyl) 4-[2-[ethyl(prop-2-enyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[2-[ethyl(prop-2-enyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[2-[allyl(ethyl)amino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[ethyl(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[2-[ethyl(prop-2-enyl)amino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[allyl(ethyl)amino]-2-keto-ethoxy]benzoic acid (4-amidinophenyl) ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=C)C(=O)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCN(CC=C)C(=O)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H23N3O4/c1-3-13-24(4-2)19(25)14-27-17-9-7-16(8-10-17)21(26)28-18-11-5-15(6-12-18)20(22)23/h3,5-12H,1,4,13-14H2,2H3,(H3,22,23)