2-[4-[ethanoyl(quinolin-2-ylmethyl)amino]butoxymethyl]-6-methyl-benzoic acid

Systemtic Name: 2-[4-[ethanoyl(quinolin-2-ylmethyl)amino]butoxymethyl]-6-methyl-benzoic acid Openeye Name: 2-[4-[acetyl(2-quinolylmethyl)amino]butoxymethyl]-6-methyl-benzoic acid CAS Name: 2-[4-[acetyl(2-quinolinylmethyl)amino]butoxymethyl]-6-methylbenzoic acid IUPAC Name: 2-[4-[acetyl(quinolin-2-ylmethyl)amino]butoxymethyl]-6-methylbenzoic acid Traditional Name: 2-[4-[acetyl(2-quinolylmethyl)amino]butoxymethyl]-6-methyl-benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCCCCN(CC2=NC3=CC=CC=C3C=C2)C(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COCCCCN(CC2=NC3=CC=CC=C3C=C2)C(=O)C)C(=O)O

InChI

InChI=1S/C25H28N2O4/c1-18-8-7-10-21(24(18)25(29)30)17-31-15-6-5-14-27(19(2)28)16-22-13-12-20-9-3-4-11-23(20)26-22/h3-4,7-13H,5-6,14-17H2,1-2H3,(H,29,30)