propan-2-yl 3-[4-(4-methylphenoxy)butanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[4-(4-methylphenoxy)butanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[4-(4-methylphenoxy)butanoylamino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[4-(4-methylphenoxy)-1-oxobutyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-(4-methylphenoxy)butanoylamino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[4-(4-methylphenoxy)butanoylamino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O6/c1-16(2)31-23(27)15-20(19-7-4-5-8-21(19)25(28)29)24-22(26)9-6-14-30-18-12-10-17(3)11-13-18/h4-5,7-8,10-13,16,20H,6,9,14-15H2,1-3H3,(H,24,26)