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

Systemtic Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[[(3,4-dipropoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=CN2C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=CN2C)OCCC

InChI

InChI=1S/C21H27N3O6/c1-4-11-28-17-9-8-15(13-18(17)29-12-5-2)22-21(27)23-19(25)14-30-20(26)16-7-6-10-24(16)3/h6-10,13H,4-5,11-12,14H2,1-3H3,(H2,22,23,25,27)