methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoate CAS Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]methylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-3-phenylpropanoate Traditional Name: 2-[[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]methylamino]-3-phenyl-propionic acid methyl ester Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CNC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CNC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H30ClN3O2/c1-3-4-14-24-28-17-21(29(24)18-20-12-8-9-13-22(20)26)16-27-23(25(30)31-2)15-19-10-6-5-7-11-19/h5-13,17,23,27H,3-4,14-16,18H2,1-2H3