2-methoxy-5-[[[3-methoxy-4-(3-methylbutoxy)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[3-methoxy-4-(3-methylbutoxy)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 5-[[(4-isopentyloxy-3-methoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[[[[3-methoxy-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]methyl]benzoic acid Traditional Name: 5-[[(4-isoamoxy-3-methoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

InChI

InChI=1S/C22H27NO6/c1-14(2)9-10-29-19-8-6-16(12-20(19)28-4)21(24)23-13-15-5-7-18(27-3)17(11-15)22(25)26/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,23,24)(H,25,26)