3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)-2-(pentanoylamino)benzoic acid

Systemtic Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)-2-(pentanoylamino)benzoic acid Openeye Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)-2-(pentanoylamino)benzoic acid CAS Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)-2-(1-oxopentylamino)benzoic acid IUPAC Name: 3-[(4-carboxyphenyl)methyl]-4-(dimethylamino)-2-(pentanoylamino)benzoic acid Traditional Name: 3-(4-carboxybenzyl)-4-(dimethylamino)-2-(valerylamino)benzoic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=CC(=C1CC2=CC=C(C=C2)C(=O)O)N(C)C)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=C(C=CC(=C1CC2=CC=C(C=C2)C(=O)O)N(C)C)C(=O)O

InChI

InChI=1S/C22H26N2O5/c1-4-5-6-19(25)23-20-16(22(28)29)11-12-18(24(2)3)17(20)13-14-7-9-15(10-8-14)21(26)27/h7-12H,4-6,13H2,1-3H3,(H,23,25)(H,26,27)(H,28,29)