[2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-[(1-methoxycarbonyl-3-methyl-butyl)amino]-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-[(1-carbomethoxy-3-methyl-butyl)amino]-2-keto-ethyl] ester Formula: C21H31NO7 MolecularWeight: 409.47334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(CC(C)C)C(=O)OC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(CC(C)C)C(=O)OC)OCC

InChI

InChI=1S/C21H31NO7/c1-6-10-28-17-9-8-15(12-18(17)27-7-2)20(24)29-13-19(23)22-16(11-14(3)4)21(25)26-5/h8-9,12,14,16H,6-7,10-11,13H2,1-5H3,(H,22,23)