(phenylmethyl) 3-[(2-azanylcyclohexyl)amino]-5-oxidanylidene-2H-pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(2-azanylcyclohexyl)amino]-5-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: benzyl 3-[(2-aminocyclohexyl)amino]-5-oxo-2H-pyrrole-1-carboxylate CAS Name: 3-[(2-aminocyclohexyl)amino]-5-oxo-2H-pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-aminocyclohexyl)amino]-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: 4-[(2-aminocyclohexyl)amino]-2-keto-3-pyrroline-1-carboxylic acid benzyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=CC(=O)N(C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C(C1)N)NC2=CC(=O)N(C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3/c19-15-8-4-5-9-16(15)20-14-10-17(22)21(11-14)18(23)24-12-13-6-2-1-3-7-13/h1-3,6-7,10,15-16,20H,4-5,8-9,11-12,19H2