4-[[5-(dimethylamino)-2-(pentanoylamino)phenyl]methyl]benzoic acid

Systemtic Name: 4-[[5-(dimethylamino)-2-(pentanoylamino)phenyl]methyl]benzoic acid Openeye Name: 4-[[5-(dimethylamino)-2-(pentanoylamino)phenyl]methyl]benzoic acid CAS Name: 4-[[5-(dimethylamino)-2-(1-oxopentylamino)phenyl]methyl]benzoic acid IUPAC Name: 4-[[5-(dimethylamino)-2-(pentanoylamino)phenyl]methyl]benzoic acid Traditional Name: 4-[5-(dimethylamino)-2-(valerylamino)benzyl]benzoic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)N(C)C)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)N(C)C)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H26N2O3/c1-4-5-6-20(24)22-19-12-11-18(23(2)3)14-17(19)13-15-7-9-16(10-8-15)21(25)26/h7-12,14H,4-6,13H2,1-3H3,(H,22,24)(H,25,26)