(4-carbamimidoylphenyl) 4-[3-[ethyl(prop-2-enyl)amino]-3-oxidanylidene-propyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[3-[ethyl(prop-2-enyl)amino]-3-oxidanylidene-propyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[3-[allyl(ethyl)amino]-3-oxo-propyl]benzoate CAS Name: 4-[3-[ethyl(prop-2-enyl)amino]-3-oxopropyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[3-[ethyl(prop-2-enyl)amino]-3-oxopropyl]benzoate Traditional Name: 4-[3-[allyl(ethyl)amino]-3-keto-propyl]benzoic acid (4-amidinophenyl) ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=C)C(=O)CCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCN(CC=C)C(=O)CCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H25N3O3/c1-3-15-25(4-2)20(26)14-7-16-5-8-18(9-6-16)22(27)28-19-12-10-17(11-13-19)21(23)24/h3,5-6,8-13H,1,4,7,14-15H2,2H3,(H3,23,24)