[1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate

Systemtic Name: [1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate Openeye Name: [1-(2-amino-2-oxo-ethyl)-6-carbamimidoyl-2-naphthyl] 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate CAS Name: 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid [1-(2-amino-2-oxoethyl)-6-carbamimidoyl-2-naphthalenyl] ester IUPAC Name: [1-(2-amino-2-oxoethyl)-6-carbamimidoylnaphthalen-2-yl] 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate Traditional Name: 4-(2-imidazolin-2-ylamino)benzoic acid [6-amidino-1-(2-amino-2-keto-ethyl)-2-naphthyl] ester Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=C(C4=C(C=C3)C=C(C=C4)C(=N)N)CC(=O)N

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=C(C4=C(C=C3)C=C(C=C4)C(=N)N)CC(=O)N

InChI

InChI=1S/C23H22N6O3/c24-20(30)12-18-17-7-3-15(21(25)26)11-14(17)4-8-19(18)32-22(31)13-1-5-16(6-2-13)29-23-27-9-10-28-23/h1-8,11H,9-10,12H2,(H2,24,30)(H3,25,26)(H2,27,28,29)