[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[[(3,4-dipropoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=CN2)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=CN2)OCCC

InChI

InChI=1S/C20H25N3O6/c1-3-10-27-16-8-7-14(12-17(16)28-11-4-2)22-20(26)23-18(24)13-29-19(25)15-6-5-9-21-15/h5-9,12,21H,3-4,10-11,13H2,1-2H3,(H2,22,23,24,26)