methyl (2S)-4-methyl-2-[[2-[(E)-2-phenylprop-1-enyl]quinazolin-4-yl]amino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[2-[(E)-2-phenylprop-1-enyl]quinazolin-4-yl]amino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-[(E)-2-phenylprop-1-enyl]quinazolin-4-yl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[2-[(E)-2-phenylprop-1-enyl]-4-quinazolinyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-[(E)-2-phenylprop-1-enyl]quinazolin-4-yl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[2-[(E)-2-phenylprop-1-enyl]quinazolin-4-yl]amino]valeric acid methyl ester Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)C=C(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)/C=C(\C)/C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O2/c1-16(2)14-21(24(28)29-4)26-23-19-12-8-9-13-20(19)25-22(27-23)15-17(3)18-10-6-5-7-11-18/h5-13,15-16,21H,14H2,1-4H3,(H,25,26,27)/b17-15+/t21-/m0/s1