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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C21H27N3O4/c1-4-5-11-22-21(27)23-19(25)14-28-20(26)18-12-15(2)24(16(18)3)13-17-9-7-6-8-10-17/h6-10,12H,4-5,11,13-14H2,1-3H3,(H2,22,23,25,27)