2-methoxy-5-[[(2,3,4,5,6-pentamethylphenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(2,3,4,5,6-pentamethylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(2,3,4,5,6-pentamethylbenzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-(2,3,4,5,6-pentamethylphenyl)methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2,3,4,5,6-pentamethylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(2,3,4,5,6-pentamethylbenzoyl)amino]methyl]benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)C)C

InChI

InChI=1S/C21H25NO4/c1-11-12(2)14(4)19(15(5)13(11)3)20(23)22-10-16-7-8-18(26-6)17(9-16)21(24)25/h7-9H,10H2,1-6H3,(H,22,23)(H,24,25)