methyl 2-[3-[4-(4-aminocarbonylimidazol-1-yl)-4-oxidanyl-butyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[4-(4-aminocarbonylimidazol-1-yl)-4-oxidanyl-butyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[4-(4-carbamoylimidazol-1-yl)-4-hydroxy-butyl]phenyl]acetate CAS Name: 2-[3-[4-(4-carbamoyl-1-imidazolyl)-4-hydroxybutyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(4-carbamoylimidazol-1-yl)-4-hydroxybutyl]phenyl]acetate Traditional Name: 2-[3-[4-(4-carbamoylimidazol-1-yl)-4-hydroxy-butyl]phenyl]acetic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CCCC(N2C=C(N=C2)C(=O)N)O

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CCCC(N2C=C(N=C2)C(=O)N)O

InChI

InChI=1S/C17H21N3O4/c1-24-16(22)9-13-6-2-4-12(8-13)5-3-7-15(21)20-10-14(17(18)23)19-11-20/h2,4,6,8,10-11,15,21H,3,5,7,9H2,1H3,(H2,18,23)