2-[[3-methoxy-4-(3-methylbutoxy)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[3-methoxy-4-(3-methylbutoxy)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[(4-isopentyloxy-3-methoxy-benzoyl)amino]terephthalic acid CAS Name: 2-[[[3-methoxy-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]terephthalic acid Traditional Name: 2-[(4-isoamoxy-3-methoxy-benzoyl)amino]terephthalic acid Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C21H23NO7/c1-12(2)8-9-29-17-7-5-13(11-18(17)28-3)19(23)22-16-10-14(20(24)25)4-6-15(16)21(26)27/h4-7,10-12H,8-9H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)