ethyl (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]propanoate

Systemtic Name: ethyl (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]propanoate Openeye Name: ethyl (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]propanoate CAS Name: (2S)-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]propanoate Traditional Name: (2S)-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]propionic acid ethyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C

InChI

InChI=1S/C25H26N4O4/c1-5-13-29(15-18-7-12-22-21(14-18)24(31)28-17(4)27-22)20-10-8-19(9-11-20)23(30)26-16(3)25(32)33-6-2/h1,7-12,14,16H,6,13,15H2,2-4H3,(H,26,30)(H,27,28,31)/t16-/m0/s1