methyl 2-methyl-6-[4-(quinolin-2-ylamino)butoxymethyl]benzoate

Systemtic Name: methyl 2-methyl-6-[4-(quinolin-2-ylamino)butoxymethyl]benzoate Openeye Name: methyl 2-methyl-6-[4-(2-quinolylamino)butoxymethyl]benzoate CAS Name: 2-methyl-6-[4-(2-quinolinylamino)butoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-6-[4-(quinolin-2-ylamino)butoxymethyl]benzoate Traditional Name: 2-methyl-6-[4-(2-quinolylamino)butoxymethyl]benzoic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCCCCNC2=NC3=CC=CC=C3C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)COCCCCNC2=NC3=CC=CC=C3C=C2)C(=O)OC

InChI

InChI=1S/C23H26N2O3/c1-17-8-7-10-19(22(17)23(26)27-2)16-28-15-6-5-14-24-21-13-12-18-9-3-4-11-20(18)25-21/h3-4,7-13H,5-6,14-16H2,1-2H3,(H,24,25)