ethyl 2-[[7-[(4-cyanophenyl)carbonylamino]-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[7-[(4-cyanophenyl)carbonylamino]-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[7-[(4-cyanobenzoyl)amino]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[7-[[(4-cyanophenyl)-oxomethyl]amino]-2-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[7-[(4-cyanobenzoyl)amino]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[7-[(4-cyanobenzoyl)amino]-3-keto-2-methyl-4H-1,4-benzoxazine-2-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H26N4O6 MolecularWeight: 526.53994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(C(=O)NC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(C(=O)NC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C29H26N4O6/c1-3-38-26(35)23(15-18-7-5-4-6-8-18)33-28(37)29(2)27(36)32-22-14-13-21(16-24(22)39-29)31-25(34)20-11-9-19(17-30)10-12-20/h4-14,16,23H,3,15H2,1-2H3,(H,31,34)(H,32,36)(H,33,37)