methyl 2-methyl-6-[3-(quinolin-2-ylamino)propoxymethyl]benzoate

Systemtic Name: methyl 2-methyl-6-[3-(quinolin-2-ylamino)propoxymethyl]benzoate Openeye Name: methyl 2-methyl-6-[3-(2-quinolylamino)propoxymethyl]benzoate CAS Name: 2-methyl-6-[3-(2-quinolinylamino)propoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-6-[3-(quinolin-2-ylamino)propoxymethyl]benzoate Traditional Name: 2-methyl-6-[3-(2-quinolylamino)propoxymethyl]benzoic acid methyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCCCNC2=NC3=CC=CC=C3C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)COCCCNC2=NC3=CC=CC=C3C=C2)C(=O)OC

InChI

InChI=1S/C22H24N2O3/c1-16-7-5-9-18(21(16)22(25)26-2)15-27-14-6-13-23-20-12-11-17-8-3-4-10-19(17)24-20/h3-5,7-12H,6,13-15H2,1-2H3,(H,23,24)