(4-nitrophenyl)methyl 3-methyl-2-[2-(4-methylphenyl)ethoxycarbonylamino]butanoate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[2-(4-methylphenyl)ethoxycarbonylamino]butanoate Openeye Name: (4-nitrophenyl)methyl 3-methyl-2-[2-(p-tolyl)ethoxycarbonylamino]butanoate CAS Name: 3-methyl-2-[[2-(4-methylphenyl)ethoxy-oxomethyl]amino]butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-[2-(4-methylphenyl)ethoxycarbonylamino]butanoate Traditional Name: 3-methyl-2-[2-(p-tolyl)ethoxycarbonylamino]butyric acid (4-nitrobenzyl) ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCOC(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCOC(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-15(2)20(21(25)30-14-18-8-10-19(11-9-18)24(27)28)23-22(26)29-13-12-17-6-4-16(3)5-7-17/h4-11,15,20H,12-14H2,1-3H3,(H,23,26)