methyl (2S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidine-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-(4,7-dimethyl-2-quinazolinyl)-4-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidine-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-(4,7-dimethylquinazolin-2-yl)isonipecotoyl]amino]-2-phenyl-acetic acid methyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC(CC3)C(=O)NC(C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC(CC3)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C25H28N4O3/c1-16-9-10-20-17(2)26-25(27-21(20)15-16)29-13-11-19(12-14-29)23(30)28-22(24(31)32-3)18-7-5-4-6-8-18/h4-10,15,19,22H,11-14H2,1-3H3,(H,28,30)/t22-/m0/s1