2-[[6-[1-(1H-imidazol-5-yl)-2-methyl-1-oxidanyl-propyl]naphthalen-2-yl]carbonylamino]propanoate

Systemtic Name: 2-[[6-[1-(1H-imidazol-5-yl)-2-methyl-1-oxidanyl-propyl]naphthalen-2-yl]carbonylamino]propanoate Openeye Name: 2-[[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methyl-propyl]naphthalene-2-carbonyl]amino]propanoate CAS Name: 2-[[[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-naphthalenyl]-oxomethyl]amino]propanoate IUPAC Name: 2-[[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carbonyl]amino]propanoate Traditional Name: 2-[[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methyl-propyl]-2-naphthoyl]amino]propionate Formula: C21H22N3O4- MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)C=C(C=C2)C(=O)NC(C)C(=O)[O-])(C3=CN=CN3)O

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)C=C(C=C2)C(=O)NC(C)C(=O)[O-])(C3=CN=CN3)O

InChI

InChI=1S/C21H23N3O4/c1-12(2)21(28,18-10-22-11-23-18)17-7-6-14-8-16(5-4-15(14)9-17)19(25)24-13(3)20(26)27/h4-13,28H,1-3H3,(H,22,23)(H,24,25)(H,26,27)/p-1