(4-carbamimidoylphenyl) 4-[(E)-3-(butan-2-ylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-3-(butan-2-ylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-oxo-3-(sec-butylamino)prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(butan-2-ylamino)-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-(butan-2-ylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-(sec-butylamino)prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC(C)NC(=O)/C=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H23N3O3/c1-3-14(2)24-19(25)13-6-15-4-7-17(8-5-15)21(26)27-18-11-9-16(10-12-18)20(22)23/h4-14H,3H2,1-2H3,(H3,22,23)(H,24,25)/b13-6+