methyl 4-[(3-imidazol-1-ylpropylamino)methyl]benzoate

Systemtic Name: methyl 4-[(3-imidazol-1-ylpropylamino)methyl]benzoate Openeye Name: methyl 4-[(3-imidazol-1-ylpropylamino)methyl]benzoate CAS Name: 4-[[3-(1-imidazolyl)propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-imidazol-1-ylpropylamino)methyl]benzoate Traditional Name: 4-[(3-imidazol-1-ylpropylamino)methyl]benzoic acid methyl ester Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCCCN2C=CN=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCCCN2C=CN=C2

InChI

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