3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)benzoic acid

Systemtic Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)benzoic acid Openeye Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)benzoic acid CAS Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)benzoic acid IUPAC Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)benzoic acid Traditional Name: 3-(4-carboxybenzyl)-4-(dimethylamino)benzoic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17NO4/c1-18(2)15-8-7-13(17(21)22)10-14(15)9-11-3-5-12(6-4-11)16(19)20/h3-8,10H,9H2,1-2H3,(H,19,20)(H,21,22)