methyl 1-[(E)-3-[2,5-bis(fluoranyl)phenyl]prop-2-enyl]-4-[3-(6-cyano-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxylate

Systemtic Name: methyl 1-[(E)-3-[2,5-bis(fluoranyl)phenyl]prop-2-enyl]-4-[3-(6-cyano-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxylate Openeye Name: methyl 4-[3-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)propyl]-1-[(E)-3-(2,5-difluorophenyl)allyl]piperidine-3-carboxylate CAS Name: 4-[3-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)propyl]-1-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)propyl]-1-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]piperidine-3-carboxylate Traditional Name: 4-[3-(6-cyano-3-keto-1,4-benzoxazin-4-yl)propyl]-1-[(E)-3-(2,5-difluorophenyl)allyl]nipecotic acid methyl ester Formula: C28H29F2N3O4 MolecularWeight: 509.544366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCC1CCCN2C(=O)COC3=C2C=C(C=C3)C#N)CC=CC4=C(C=CC(=C4)F)F

Isomeric SMILES

COC(=O)C1CN(CCC1CCCN2C(=O)COC3=C2C=C(C=C3)C#N)C/C=C/C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C28H29F2N3O4/c1-36-28(35)23-17-32(11-2-5-21-15-22(29)7-8-24(21)30)13-10-20(23)4-3-12-33-25-14-19(16-31)6-9-26(25)37-18-27(33)34/h2,5-9,14-15,20,23H,3-4,10-13,17-18H2,1H3/b5-2+