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

Systemtic Name: methyl 2-[4-[ethanoyl(quinolin-2-ylmethyl)amino]butoxymethyl]-6-methyl-benzoate Openeye Name: methyl 2-[4-[acetyl(2-quinolylmethyl)amino]butoxymethyl]-6-methyl-benzoate CAS Name: 2-[4-[acetyl(2-quinolinylmethyl)amino]butoxymethyl]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[4-[acetyl(quinolin-2-ylmethyl)amino]butoxymethyl]-6-methylbenzoate Traditional Name: 2-[4-[acetyl(2-quinolylmethyl)amino]butoxymethyl]-6-methyl-benzoic acid methyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-19-9-8-11-22(25(19)26(30)31-3)18-32-16-7-6-15-28(20(2)29)17-23-14-13-21-10-4-5-12-24(21)27-23/h4-5,8-14H,6-7,15-18H2,1-3H3