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

Systemtic Name: ethyl (2S)-2-[[4-[(4-cyanophenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]methylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[4-[(4-cyanophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-[(4-cyanophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]methylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-[(4-cyanophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(4-cyanobenzyl)-3-keto-1,4-benzoxazin-7-yl]methylamino]-3-phenyl-propionic acid ethyl ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NCC2=CC3=C(C=C2)N(C(=O)CO3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NCC2=CC3=C(C=C2)N(C(=O)CO3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H27N3O4/c1-2-34-28(33)24(14-20-6-4-3-5-7-20)30-17-23-12-13-25-26(15-23)35-19-27(32)31(25)18-22-10-8-21(16-29)9-11-22/h3-13,15,24,30H,2,14,17-19H2,1H3/t24-/m0/s1