(6-carbamimidoylnaphthalen-2-yl) 4-(1H-imidazol-2-ylamino)benzoate

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-(1H-imidazol-2-ylamino)benzoate Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-(1H-imidazol-2-ylamino)benzoate CAS Name: 4-(1H-imidazol-2-ylamino)benzoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(1H-imidazol-2-ylamino)benzoate Traditional Name: 4-(1H-imidazol-2-ylamino)benzoic acid (6-amidino-2-naphthyl) ester Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)NC4=NC=CN4

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)NC4=NC=CN4

InChI

InChI=1S/C21H17N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-12H,(H3,22,23)(H2,24,25,26)