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

Systemtic Name: 4-(dimethylamino)-3-[(4-methoxycarbonylphenyl)methyl]benzoic acid; pentan-1-amine Openeye Name: 4-(dimethylamino)-3-[(4-methoxycarbonylphenyl)methyl]benzoic acid; pentan-1-amine CAS Name: 4-(dimethylamino)-3-[(4-methoxycarbonylphenyl)methyl]benzoic acid; 1-pentanamine IUPAC Name: 4-(dimethylamino)-3-[(4-methoxycarbonylphenyl)methyl]benzoic acid; pentan-1-amine Traditional Name: amylamine; 3-(4-carbomethoxybenzyl)-4-(dimethylamino)benzoic acid Formula: C23H32N2O4 MolecularWeight: 400.51118

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4.C5H13N/c1-19(2)16-9-8-14(17(20)21)11-15(16)10-12-4-6-13(7-5-12)18(22)23-3;1-2-3-4-5-6/h4-9,11H,10H2,1-3H3,(H,20,21);2-6H2,1H3