[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C(C(=CC=C2)C)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C(C(=CC=C2)C)N)OCC

InChI

InChI=1S/C21H25N3O6/c1-4-28-16-10-9-14(11-17(16)29-5-2)23-21(27)24-18(25)12-30-20(26)15-8-6-7-13(3)19(15)22/h6-11H,4-5,12,22H2,1-3H3,(H2,23,24,25,27)