methyl 4-[[3-(2-methylimidazol-1-yl)propylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(2-methylimidazol-1-yl)propylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(2-methylimidazol-1-yl)propylamino]methyl]benzoate CAS Name: 4-[[3-(2-methyl-1-imidazolyl)propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methylimidazol-1-yl)propylamino]methyl]benzoate Traditional Name: 4-[[3-(2-methylimidazol-1-yl)propylamino]methyl]benzoic acid methyl ester Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCCNCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NC=CN1CCCNCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H21N3O2/c1-13-18-9-11-19(13)10-3-8-17-12-14-4-6-15(7-5-14)16(20)21-2/h4-7,9,11,17H,3,8,10,12H2,1-2H3