methyl 5-[2-[(1-imidazol-1-yl-3-methyl-butyl)amino]-1-oxidanyl-ethyl]-2-phenylmethoxy-benzoate

Systemtic Name: methyl 5-[2-[(1-imidazol-1-yl-3-methyl-butyl)amino]-1-oxidanyl-ethyl]-2-phenylmethoxy-benzoate Openeye Name: methyl 2-benzyloxy-5-[1-hydroxy-2-[(1-imidazol-1-yl-3-methyl-butyl)amino]ethyl]benzoate CAS Name: 5-[1-hydroxy-2-[[1-(1-imidazolyl)-3-methylbutyl]amino]ethyl]-2-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 5-[1-hydroxy-2-[(1-imidazol-1-yl-3-methylbutyl)amino]ethyl]-2-phenylmethoxybenzoate Traditional Name: 2-benzoxy-5-[1-hydroxy-2-[(1-imidazol-1-yl-3-methyl-butyl)amino]ethyl]benzoic acid methyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)OC)O)N3C=CN=C3

Isomeric SMILES

CC(C)CC(NCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)OC)O)N3C=CN=C3

InChI

InChI=1S/C25H31N3O4/c1-18(2)13-24(28-12-11-26-17-28)27-15-22(29)20-9-10-23(21(14-20)25(30)31-3)32-16-19-7-5-4-6-8-19/h4-12,14,17-18,22,24,27,29H,13,15-16H2,1-3H3