[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl] pentanoate

Systemtic Name: [4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl] pentanoate Openeye Name: [4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenyl] pentanoate CAS Name: pentanoic acid [4-[2-[3-(1-imidazolyl)propylamino]propan-2-yl]phenyl] ester IUPAC Name: [4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl] pentanoate Traditional Name: valeric acid [4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenyl] ester Formula: C20H29N3O2 MolecularWeight: 343.46316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)C(C)(C)NCCCN2C=CN=C2

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)C(C)(C)NCCCN2C=CN=C2

InChI

InChI=1S/C20H29N3O2/c1-4-5-7-19(24)25-18-10-8-17(9-11-18)20(2,3)22-12-6-14-23-15-13-21-16-23/h8-11,13,15-16,22H,4-7,12,14H2,1-3H3