3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)benzoic acid; pentan-1-amine

Systemtic Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)benzoic acid; pentan-1-amine Openeye Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)benzoic acid; pentan-1-amine CAS Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)benzoic acid; 1-pentanamine IUPAC Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)benzoic acid; pentan-1-amine Traditional Name: amylamine; 3-(4-carboxybenzyl)-4-(dimethylamino)benzoic acid Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4.C5H13N/c1-18(2)15-8-7-13(17(21)22)10-14(15)9-11-3-5-12(6-4-11)16(19)20;1-2-3-4-5-6/h3-8,10H,9H2,1-2H3,(H,19,20)(H,21,22);2-6H2,1H3