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

Systemtic Name: 5-[[[3-chloranyl-5-methoxy-4-(3-methylbutoxy)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(3-chloro-4-isopentyloxy-5-methoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(3-chloro-4-isoamoxy-5-methoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C22H26ClNO6 MolecularWeight: 435.89794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

InChI

InChI=1S/C22H26ClNO6/c1-13(2)7-8-30-20-17(23)10-15(11-19(20)29-4)21(25)24-12-14-5-6-18(28-3)16(9-14)22(26)27/h5-6,9-11,13H,7-8,12H2,1-4H3,(H,24,25)(H,26,27)