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

Systemtic Name: 2-[(4-carboxyphenyl)methyl-pentanoyl-amino]-4-(dimethylamino)benzoic acid Openeye Name: 2-[(4-carboxyphenyl)methyl-pentanoyl-amino]-4-(dimethylamino)benzoic acid CAS Name: 2-[(4-carboxyphenyl)methyl-(1-oxopentyl)amino]-4-(dimethylamino)benzoic acid IUPAC Name: 2-[(4-carboxyphenyl)methyl-pentanoylamino]-4-(dimethylamino)benzoic acid Traditional Name: 2-[(4-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=C(C=C1)C(=O)O)C2=C(C=CC(=C2)N(C)C)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=C(C=CC(=C2)N(C)C)C(=O)O

InChI

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