[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C22H28N2O3/c1-16-13-20(17(2)24(16)14-18-9-5-3-6-10-18)22(26)27-15-21(25)23-19-11-7-4-8-12-19/h3,5-6,9-10,13,19H,4,7-8,11-12,14-15H2,1-2H3,(H,23,25)