4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)azepane-4-carboxylic acid

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)azepane-4-carboxylic acid Openeye Name: 1-benzyl-4-(tert-butoxycarbonylamino)azepane-4-carboxylic acid CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-4-azepanecarboxylic acid IUPAC Name: 1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid Traditional Name: 1-benzyl-4-(tert-butoxycarbonylamino)azepane-4-carboxylic acid Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCCN(CC1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CCCN(CC1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H28N2O4/c1-18(2,3)25-17(24)20-19(16(22)23)10-7-12-21(13-11-19)14-15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3,(H,20,24)(H,22,23)