methyl (2S)-2-[[1-(4-methylquinazolin-2-yl)piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-(4-methylquinazolin-2-yl)piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-(4-methylquinazolin-2-yl)piperidine-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-(4-methyl-2-quinazolinyl)-4-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4-methylquinazolin-2-yl)piperidine-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-(4-methylquinazolin-2-yl)isonipecotoyl]amino]-2-phenyl-acetic acid methyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)N3CCC(CC3)C(=O)NC(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)N3CCC(CC3)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H26N4O3/c1-16-19-10-6-7-11-20(19)26-24(25-16)28-14-12-18(13-15-28)22(29)27-21(23(30)31-2)17-8-4-3-5-9-17/h3-11,18,21H,12-15H2,1-2H3,(H,27,29)/t21-/m0/s1