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-carboxylic acid

Systemtic Name: 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-carboxylic acid Openeye Name: 4-[3-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)propyl]-1-[(E)-3-(2,5-difluorophenyl)allyl]piperidine-3-carboxylic acid 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 IUPAC Name: 4-[3-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)propyl]-1-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]piperidine-3-carboxylic acid Traditional Name: 4-[3-(6-cyano-3-keto-1,4-benzoxazin-4-yl)propyl]-1-[(E)-3-(2,5-difluorophenyl)allyl]nipecotic acid Formula: C27H27F2N3O4 MolecularWeight: 495.517786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CCCN2C(=O)COC3=C2C=C(C=C3)C#N)C(=O)O)CC=CC4=C(C=CC(=C4)F)F

Isomeric SMILES

C1CN(CC(C1CCCN2C(=O)COC3=C2C=C(C=C3)C#N)C(=O)O)C/C=C/C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C27H27F2N3O4/c28-21-6-7-23(29)20(14-21)4-1-10-31-12-9-19(22(16-31)27(34)35)3-2-11-32-24-13-18(15-30)5-8-25(24)36-17-26(32)33/h1,4-8,13-14,19,22H,2-3,9-12,16-17H2,(H,34,35)/b4-1+