methyl 2-[3-[ethanoyl(quinolin-2-ylmethyl)amino]propoxymethyl]-6-methyl-benzoate

Systemtic Name: methyl 2-[3-[ethanoyl(quinolin-2-ylmethyl)amino]propoxymethyl]-6-methyl-benzoate Openeye Name: methyl 2-[3-[acetyl(2-quinolylmethyl)amino]propoxymethyl]-6-methyl-benzoate CAS Name: 2-[3-[acetyl(2-quinolinylmethyl)amino]propoxymethyl]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[3-[acetyl(quinolin-2-ylmethyl)amino]propoxymethyl]-6-methylbenzoate Traditional Name: 2-[3-[acetyl(2-quinolylmethyl)amino]propoxymethyl]-6-methyl-benzoic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-18-8-6-10-21(24(18)25(29)30-3)17-31-15-7-14-27(19(2)28)16-22-13-12-20-9-4-5-11-23(20)26-22/h4-6,8-13H,7,14-17H2,1-3H3