[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H28N2O3/c1-25(2,3)27(17-19-9-5-4-6-10-19)23(28)18-30-24(29)16-15-21-14-13-20-11-7-8-12-22(20)26-21/h4-14H,15-18H2,1-3H3