(phenylmethyl) 3-(1H-benzimidazol-2-ylmethylamino)-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-(1H-benzimidazol-2-ylmethylamino)-3-oxidanylidene-propanoate Openeye Name: benzyl 3-(1H-benzimidazol-2-ylmethylamino)-3-oxo-propanoate CAS Name: 3-(1H-benzimidazol-2-ylmethylamino)-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-benzimidazol-2-ylmethylamino)-3-oxopropanoate Traditional Name: 3-(1H-benzimidazol-2-ylmethylamino)-3-keto-propionic acid benzyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(=O)NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(=O)NCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H17N3O3/c22-17(10-18(23)24-12-13-6-2-1-3-7-13)19-11-16-20-14-8-4-5-9-15(14)21-16/h1-9H,10-12H2,(H,19,22)(H,20,21)