2-(4-ethoxyphenyl)-2-(2-methylpropylamino)-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-(4-ethoxyphenyl)-2-(2-methylpropylamino)-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-(4-ethoxyphenyl)-2-(isobutylamino)-3-(4-nitrophenyl)propanoic acid CAS Name: 2-(4-ethoxyphenyl)-2-(2-methylpropylamino)-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-(4-ethoxyphenyl)-2-(2-methylpropylamino)-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-(isobutylamino)-3-(4-nitrophenyl)-2-p-phenetyl-propionic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])(C(=O)O)NCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])(C(=O)O)NCC(C)C

InChI

InChI=1S/C21H26N2O5/c1-4-28-19-11-7-17(8-12-19)21(20(24)25,22-14-15(2)3)13-16-5-9-18(10-6-16)23(26)27/h5-12,15,22H,4,13-14H2,1-3H3,(H,24,25)