ethyl 3-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-(2-methylpropyl)amino]propanoate

Systemtic Name: ethyl 3-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-(2-methylpropyl)amino]propanoate Openeye Name: ethyl 3-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-quinoxaline-6-carbonyl]-isobutyl-amino]propanoate CAS Name: 3-[[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-oxomethyl]-(2-methylpropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxoquinoxaline-6-carbonyl]-(2-methylpropyl)amino]propanoate Traditional Name: 3-[[3-(4-cyanobenzyl)-2-keto-1-methyl-quinoxaline-6-carbonyl]-isobutyl-amino]propionic acid ethyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC(C)C)C(=O)C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)CCN(CC(C)C)C(=O)C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C27H30N4O4/c1-5-35-25(32)12-13-31(17-18(2)3)26(33)21-10-11-24-22(15-21)29-23(27(34)30(24)4)14-19-6-8-20(16-28)9-7-19/h6-11,15,18H,5,12-14,17H2,1-4H3