tert-butyl methanoate; 3-methyl-2-(quinolin-3-ylcarbonylamino)pentanoic acid

Systemtic Name: tert-butyl methanoate; 3-methyl-2-(quinolin-3-ylcarbonylamino)pentanoic acid Openeye Name: tert-butyl formate; 3-methyl-2-(quinoline-3-carbonylamino)pentanoic acid CAS Name: formic acid tert-butyl ester; 3-methyl-2-[[oxo(3-quinolinyl)methyl]amino]pentanoic acid IUPAC Name: tert-butyl formate; 3-methyl-2-(quinoline-3-carbonylamino)pentanoic acid Traditional Name: formic acid tert-butyl ester; 3-methyl-2-(quinoline-3-carbonylamino)valeric acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2N=C1.CC(C)(C)OC=O

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2N=C1.CC(C)(C)OC=O

InChI

InChI=1S/C16H18N2O3.C5H10O2/c1-3-10(2)14(16(20)21)18-15(19)12-8-11-6-4-5-7-13(11)17-9-12;1-5(2,3)7-4-6/h4-10,14H,3H2,1-2H3,(H,18,19)(H,20,21);4H,1-3H3