methyl 2-[[2,2-dimethyl-3-(quinolin-2-ylmethoxy)propoxy]methyl]-6-methyl-benzoate

Systemtic Name: methyl 2-[[2,2-dimethyl-3-(quinolin-2-ylmethoxy)propoxy]methyl]-6-methyl-benzoate Openeye Name: methyl 2-[[2,2-dimethyl-3-(2-quinolylmethoxy)propoxy]methyl]-6-methyl-benzoate CAS Name: 2-[[2,2-dimethyl-3-(2-quinolinylmethoxy)propoxy]methyl]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[[2,2-dimethyl-3-(quinolin-2-ylmethoxy)propoxy]methyl]-6-methylbenzoate Traditional Name: 2-[[2,2-dimethyl-3-(2-quinolylmethoxy)propoxy]methyl]-6-methyl-benzoic acid methyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCC(C)(C)COCC2=NC3=CC=CC=C3C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)COCC(C)(C)COCC2=NC3=CC=CC=C3C=C2)C(=O)OC

InChI

InChI=1S/C25H29NO4/c1-18-8-7-10-20(23(18)24(27)28-4)14-29-16-25(2,3)17-30-15-21-13-12-19-9-5-6-11-22(19)26-21/h5-13H,14-17H2,1-4H3