3-azanyl-4-[(2,4-dichlorophenyl)methyl]-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid

Systemtic Name: 3-azanyl-4-[(2,4-dichlorophenyl)methyl]-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Openeye Name: 3-amino-5-tert-butoxycarbonyl-4-[(2,4-dichlorophenyl)methyl]-2-methyl-benzoic acid CAS Name: 3-amino-4-[(2,4-dichlorophenyl)methyl]-2-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]benzoic acid IUPAC Name: 3-amino-4-[(2,4-dichlorophenyl)methyl]-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Traditional Name: 3-amino-5-tert-butoxycarbonyl-4-(2,4-dichlorobenzyl)-2-methyl-benzoic acid Formula: C20H21Cl2NO4 MolecularWeight: 410.29104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)C(=O)OC(C)(C)C)CC2=C(C=C(C=C2)Cl)Cl)N

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)C(=O)OC(C)(C)C)CC2=C(C=C(C=C2)Cl)Cl)N

InChI

InChI=1S/C20H21Cl2NO4/c1-10-13(18(24)25)9-15(19(26)27-20(2,3)4)14(17(10)23)7-11-5-6-12(21)8-16(11)22/h5-6,8-9H,7,23H2,1-4H3,(H,24,25)