ethyl 4-[2-[(Z)-N'-oxidanylcarbamimidoyl]-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: ethyl 4-[2-[(Z)-N'-oxidanylcarbamimidoyl]-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl 4-[2-[(Z)-N'-hydroxycarbamimidoyl]-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]vinyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate CAS Name: 4-[2-[(Z)-amino(hydroxyimino)methyl]-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(Z)-N'-hydroxycarbamimidoyl]-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Traditional Name: 4-[2-[(Z)-aminocarbohydroximoyl]-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]vinyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid ethyl ester Formula: C33H39N3O5 MolecularWeight: 557.67986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CC(OC2=C(C=CC=C21)C=CC3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=NO)N

Isomeric SMILES

CCOC(=O)CCCN1CC(OC2=C(C=CC=C21)/C=C/C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)/C(=N/O)/N

InChI

InChI=1S/C33H39N3O5/c1-2-39-31(37)15-9-22-36-24-30(33(34)35-38)41-32-27(13-8-14-29(32)36)19-16-26-17-20-28(21-18-26)40-23-7-6-12-25-10-4-3-5-11-25/h3-5,8,10-11,13-14,16-21,30,38H,2,6-7,9,12,15,22-24H2,1H3,(H2,34,35)/b19-16+