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

Systemtic Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[[(3,4-dipropoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C2)OCCC

Isomeric SMILES

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

InChI

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