[1-[4,5-bis(butylcarbamoyl)imidazol-1-yl]-3-phenoxy-propan-2-yl] 4-methoxybenzoate

Systemtic Name: [1-[4,5-bis(butylcarbamoyl)imidazol-1-yl]-3-phenoxy-propan-2-yl] 4-methoxybenzoate Openeye Name: [1-[[4,5-bis(butylcarbamoyl)imidazol-1-yl]methyl]-2-phenoxy-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [1-[4,5-bis[butylamino(oxo)methyl]-1-imidazolyl]-3-phenoxypropan-2-yl] ester IUPAC Name: [1-[4,5-bis(butylcarbamoyl)imidazol-1-yl]-3-phenoxypropan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [1-[[4,5-bis(butylcarbamoyl)imidazol-1-yl]methyl]-2-phenoxy-ethyl] ester Formula: C30H38N4O6 MolecularWeight: 550.64592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C=N1)CC(COC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC)C(=O)NCCCC

Isomeric SMILES

CCCCNC(=O)C1=C(N(C=N1)CC(COC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC)C(=O)NCCCC

InChI

InChI=1S/C30H38N4O6/c1-4-6-17-31-28(35)26-27(29(36)32-18-7-5-2)34(21-33-26)19-25(20-39-24-11-9-8-10-12-24)40-30(37)22-13-15-23(38-3)16-14-22/h8-16,21,25H,4-7,17-20H2,1-3H3,(H,31,35)(H,32,36)