5-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)-[4-(diethylamino)phenyl]methyl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-carboxy-5-methyl-4-oxidanyl-phenyl)-[4-(diethylamino)phenyl]methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[(3-carboxy-4-hydroxy-5-methylphenyl)-[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[(3-carboxy-4-hydroxy-5-methylphenyl)-[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(C2=CC(=C(C(=C2)C(=O)O)O)C)C3=CC(=C(C(=C3)C(=O)O)O)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(C2=CC(=C(C(=C2)C(=O)O)O)C)C3=CC(=C(C(=C3)C(=O)O)O)C

InChI

InChI=1S/C27H29NO6/c1-5-28(6-2)20-9-7-17(8-10-20)23(18-11-15(3)24(29)21(13-18)26(31)32)19-12-16(4)25(30)22(14-19)27(33)34/h7-14,23,29-30H,5-6H2,1-4H3,(H,31,32)(H,33,34)