(phenylmethyl) 2-azanyl-4-(1H-indol-3-ylmethyl)-5-oxidanylidene-4H-imidazole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-4-(1H-indol-3-ylmethyl)-5-oxidanylidene-4H-imidazole-3-carboxylate Openeye Name: benzyl 2-amino-4-(1H-indol-3-ylmethyl)-5-oxo-4H-imidazole-3-carboxylate CAS Name: 2-amino-4-(1H-indol-3-ylmethyl)-5-oxo-4H-imidazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-4-(1H-indol-3-ylmethyl)-5-oxo-4H-imidazole-3-carboxylate Traditional Name: 2-amino-5-(1H-indol-3-ylmethyl)-4-keto-2-imidazoline-1-carboxylic acid benzyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C(C(=O)N=C2N)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C(C(=O)N=C2N)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H18N4O3/c21-19-23-18(25)17(10-14-11-22-16-9-5-4-8-15(14)16)24(19)20(26)27-12-13-6-2-1-3-7-13/h1-9,11,17,22H,10,12H2,(H2,21,23,25)