diethyl 2-acetamido-2-[[4-(pentan-3-ylamino)phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[4-(pentan-3-ylamino)phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[4-(1-ethylpropylamino)phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[4-(pentan-3-ylamino)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[4-(pentan-3-ylamino)phenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[4-(1-ethylpropylamino)benzyl]malonic acid diethyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=CC=C(C=C1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCC(CC)NC1=CC=C(C=C1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H32N2O5/c1-6-17(7-2)22-18-12-10-16(11-13-18)14-21(23-15(5)24,19(25)27-8-3)20(26)28-9-4/h10-13,17,22H,6-9,14H2,1-5H3,(H,23,24)