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

Systemtic Name: ethyl (3S)-3-[[2-[(4-cyanophenyl)methoxy]-4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (3S)-3-[[2-[(4-cyanophenyl)methoxy]-4-methyl-3-oxo-1,4-benzoxazine-7-carbonyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[[2-[(4-cyanophenyl)methoxy]-4-methyl-3-oxo-1,4-benzoxazin-7-yl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[2-[(4-cyanophenyl)methoxy]-4-methyl-3-oxo-1,4-benzoxazine-7-carbonyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-[[2-(4-cyanobenzyl)oxy-3-keto-4-methyl-1,4-benzoxazine-7-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H27N3O6 MolecularWeight: 513.54118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=O)C(O3)OCC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=O)C(O3)OCC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C29H27N3O6/c1-3-36-26(33)16-23(21-7-5-4-6-8-21)31-27(34)22-13-14-24-25(15-22)38-29(28(35)32(24)2)37-18-20-11-9-19(17-30)10-12-20/h4-15,23,29H,3,16,18H2,1-2H3,(H,31,34)/t23-,29?/m0/s1