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

Systemtic Name: benzaldehyde; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: benzaldehyde; 2-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid CAS Name: benzaldehyde; 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: benzaldehyde; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: benzaldehyde; 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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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=C(C=C1)C=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1=CC=C(C=C1)C=O

InChI

InChI=1S/C14H19NO4.C7H6O/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;8-6-7-4-2-1-3-5-7/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);1-6H