2-(carboxymethyloxy)-4-(4-phenylbutylamino)-3-propyl-benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-4-(4-phenylbutylamino)-3-propyl-benzoic acid Openeye Name: 2-(carboxymethyloxy)-4-(4-phenylbutylamino)-3-propyl-benzoic acid CAS Name: 2-(carboxymethyloxy)-4-(4-phenylbutylamino)-3-propylbenzoic acid IUPAC Name: 2-(carboxymethyloxy)-4-(4-phenylbutylamino)-3-propylbenzoic acid Traditional Name: 2-(carboxymethyloxy)-4-(4-phenylbutylamino)-3-propyl-benzoic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCC(=O)O)C(=O)O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C=CC(=C1OCC(=O)O)C(=O)O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5/c1-2-8-17-19(23-14-7-6-11-16-9-4-3-5-10-16)13-12-18(22(26)27)21(17)28-15-20(24)25/h3-5,9-10,12-13,23H,2,6-8,11,14-15H2,1H3,(H,24,25)(H,26,27)