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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC=C1C(=O)O)C2=C(C=CC(=C2)C(=O)O)N(C)C

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC=C1C(=O)O)C2=C(C=CC(=C2)C(=O)O)N(C)C

InChI

InChI=1S/C22H26N2O5/c1-4-5-10-20(25)24(14-16-8-6-7-9-17(16)22(28)29)19-13-15(21(26)27)11-12-18(19)23(2)3/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,26,27)(H,28,29)