2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid; quinoline-3-carboxamide

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid; quinoline-3-carboxamide Openeye Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid; quinoline-3-carboxamide CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid; 3-quinolinecarboxamide IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid; quinoline-3-carboxamide Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid; quinoline-3-carboxamide Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N

InChI

InChI=1S/C14H19NO4.C10H8N2O/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);1-6H,(H2,11,13)