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

Systemtic Name: 3-[(4-carboxyphenyl)methyl]-2-(pentanoylamino)-4-propan-2-yl-benzoic acid Openeye Name: 3-[(4-carboxyphenyl)methyl]-4-isopropyl-2-(pentanoylamino)benzoic acid CAS Name: 3-[(4-carboxyphenyl)methyl]-2-(1-oxopentylamino)-4-propan-2-ylbenzoic acid IUPAC Name: 3-[(4-carboxyphenyl)methyl]-2-(pentanoylamino)-4-propan-2-ylbenzoic acid Traditional Name: 3-(4-carboxybenzyl)-4-isopropyl-2-(valerylamino)benzoic acid Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5/c1-4-5-6-20(25)24-21-18(23(28)29)12-11-17(14(2)3)19(21)13-15-7-9-16(10-8-15)22(26)27/h7-12,14H,4-6,13H2,1-3H3,(H,24,25)(H,26,27)(H,28,29)