methyl 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzoate

Systemtic Name: methyl 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzoate Openeye Name: methyl 4-[[(2-imidazol-1-yl-1-methyl-ethyl)amino]methyl]benzoate CAS Name: 4-[[1-(1-imidazolyl)propan-2-ylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzoate Traditional Name: 4-[[(2-imidazol-1-yl-1-methyl-ethyl)amino]methyl]benzoic acid methyl ester Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CN=C1)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(CN1C=CN=C1)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H19N3O2/c1-12(10-18-8-7-16-11-18)17-9-13-3-5-14(6-4-13)15(19)20-2/h3-8,11-12,17H,9-10H2,1-2H3