3-[(2-chloranyl-4-propoxy-phenyl)methoxycarbonylamino]-2-methyl-2-phenyl-propanoic acid

Systemtic Name: 3-[(2-chloranyl-4-propoxy-phenyl)methoxycarbonylamino]-2-methyl-2-phenyl-propanoic acid Openeye Name: 3-[(2-chloro-4-propoxy-phenyl)methoxycarbonylamino]-2-methyl-2-phenyl-propanoic acid CAS Name: 3-[[(2-chloro-4-propoxyphenyl)methoxy-oxomethyl]amino]-2-methyl-2-phenylpropanoic acid IUPAC Name: 3-[(2-chloro-4-propoxyphenyl)methoxycarbonylamino]-2-methyl-2-phenylpropanoic acid Traditional Name: 3-[(2-chloro-4-propoxy-benzyl)oxycarbonylamino]-2-methyl-2-phenyl-propionic acid Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)COC(=O)NCC(C)(C2=CC=CC=C2)C(=O)O)Cl

Isomeric SMILES

CCCOC1=CC(=C(C=C1)COC(=O)NCC(C)(C2=CC=CC=C2)C(=O)O)Cl

InChI

InChI=1S/C21H24ClNO5/c1-3-11-27-17-10-9-15(18(22)12-17)13-28-20(26)23-14-21(2,19(24)25)16-7-5-4-6-8-16/h4-10,12H,3,11,13-14H2,1-2H3,(H,23,26)(H,24,25)