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

Systemtic Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[[(3,4-dipropoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-3-11-28-17-6-5-16(13-18(17)29-12-4-2)23-21(27)24-19(25)14-30-20(26)15-7-9-22-10-8-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,23,24,25,27)