2-methylpropyl 2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoate

Systemtic Name: 2-methylpropyl 2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoate Openeye Name: isobutyl 2-methyl-6-[[3-(2-quinolylmethyl)imidazol-4-yl]methoxymethyl]benzoate CAS Name: 2-methyl-6-[[3-(2-quinolinylmethyl)-4-imidazolyl]methoxymethyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoate Traditional Name: 2-methyl-6-[[3-(2-quinolylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid isobutyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCC2=CN=CN2CC3=NC4=CC=CC=C4C=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)COCC2=CN=CN2CC3=NC4=CC=CC=C4C=C3)C(=O)OCC(C)C

InChI

InChI=1S/C27H29N3O3/c1-19(2)15-33-27(31)26-20(3)7-6-9-22(26)16-32-17-24-13-28-18-30(24)14-23-12-11-21-8-4-5-10-25(21)29-23/h4-13,18-19H,14-17H2,1-3H3