ethyl 4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]benzoate

Systemtic Name: ethyl 4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]benzoate Openeye Name: ethyl 4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]benzoate CAS Name: 4-[2-[3-(1-imidazolyl)propylamino]propan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]benzoate Traditional Name: 4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]benzoic acid ethyl ester Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C)(C)NCCCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(C)(C)NCCCN2C=CN=C2

InChI

InChI=1S/C18H25N3O2/c1-4-23-17(22)15-6-8-16(9-7-15)18(2,3)20-10-5-12-21-13-11-19-14-21/h6-9,11,13-14,20H,4-5,10,12H2,1-3H3