(E)-2-cyano-3-[3-[(Z)-2-cyano-3-(octylamino)-3-oxidanylidene-prop-1-enyl]phenyl]-N-octyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-[(Z)-2-cyano-3-(octylamino)-3-oxidanylidene-prop-1-enyl]phenyl]-N-octyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-[(Z)-2-cyano-3-(octylamino)-3-oxo-prop-1-enyl]phenyl]-N-octyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-[(Z)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]phenyl]-N-octyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-[(Z)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]phenyl]-N-octylprop-2-enamide Traditional Name: (E)-2-cyano-3-[3-[(Z)-2-cyano-3-keto-3-(octylamino)prop-1-enyl]phenyl]-N-octyl-acrylamide Formula: C30H42N4O2 MolecularWeight: 490.68008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(=CC1=CC(=CC=C1)C=C(C#N)C(=O)NCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCNC(=O)/C(=C\C1=CC(=CC=C1)/C=C(\C#N)/C(=O)NCCCCCCCC)/C#N

InChI

InChI=1S/C30H42N4O2/c1-3-5-7-9-11-13-18-33-29(35)27(23-31)21-25-16-15-17-26(20-25)22-28(24-32)30(36)34-19-14-12-10-8-6-4-2/h15-17,20-22H,3-14,18-19H2,1-2H3,(H,33,35)(H,34,36)/b27-21-,28-22+