4-[[1H-imidazol-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalene-1-carboxylic acid

Systemtic Name: 4-[[1H-imidazol-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalene-1-carboxylic acid Openeye Name: 4-[[tert-butoxycarbonyl(1H-imidazol-2-ylmethyl)amino]methyl]naphthalene-1-carboxylic acid CAS Name: 4-[[1H-imidazol-2-ylmethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[[1H-imidazol-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalene-1-carboxylic acid Traditional Name: 4-[[tert-butoxycarbonyl(1H-imidazol-2-ylmethyl)amino]methyl]-1-naphthoic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=C(C2=CC=CC=C12)C(=O)O)CC3=NC=CN3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=C(C2=CC=CC=C12)C(=O)O)CC3=NC=CN3

InChI

InChI=1S/C21H23N3O4/c1-21(2,3)28-20(27)24(13-18-22-10-11-23-18)12-14-8-9-17(19(25)26)16-7-5-4-6-15(14)16/h4-11H,12-13H2,1-3H3,(H,22,23)(H,25,26)