2-azanylethanoyl 3-carbamimidoylbenzoate; 5-phenylbicyclo[2.2.1]heptane-3-carboxamide

Systemtic Name: 2-azanylethanoyl 3-carbamimidoylbenzoate; 5-phenylbicyclo[2.2.1]heptane-3-carboxamide Openeye Name: (2-aminoacetyl) 3-carbamimidoylbenzoate; 6-phenylnorbornane-2-carboxamide CAS Name: 3-carbamimidoylbenzoic acid (2-amino-1-oxoethyl) ester; 5-phenyl-3-bicyclo[2.2.1]heptanecarboxamide IUPAC Name: (2-aminoacetyl) 3-carbamimidoylbenzoate; 5-phenylbicyclo[2.2.1]heptane-3-carboxamide Traditional Name: 3-amidinobenzoic acid glycyl ester; 6-phenylnorbornane-2-carboxamide Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(C1C(C2)C(=O)N)C3=CC=CC=C3.C1=CC(=CC(=C1)C(=O)OC(=O)CN)C(=N)N

Isomeric SMILES

C1C2CC(C1C(C2)C(=O)N)C3=CC=CC=C3.C1=CC(=CC(=C1)C(=O)OC(=O)CN)C(=N)N

InChI

InChI=1S/C14H17NO.C10H11N3O3/c15-14(16)13-8-9-6-11(12(13)7-9)10-4-2-1-3-5-10;11-5-8(14)16-10(15)7-3-1-2-6(4-7)9(12)13/h1-5,9,11-13H,6-8H2,(H2,15,16);1-4H,5,11H2,(H3,12,13)