4-[[(E)-2-dodecoxy-3-(3-oxidanylideneprop-2-enoxy)prop-2-enyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[[(E)-2-dodecoxy-3-(3-oxidanylideneprop-2-enoxy)prop-2-enyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[[(E)-2-dodecoxy-3-(3-oxoallyloxy)allyl]amino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[[(E)-2-dodecoxy-3-(3-oxoprop-2-enoxy)prop-2-enyl]amino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[[(E)-2-dodecoxy-3-(3-oxoprop-2-enoxy)prop-2-enyl]amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[[(E)-3-(3-ketoallyloxy)-2-lauryloxy-allyl]amino]-2,2-dimethyl-chroman-6-carbonitrile Formula: C30H44N2O5 MolecularWeight: 512.68076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=COCC=C=O)CNC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCO/C(=C/OCC=C=O)/CNC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O

InChI

InChI=1S/C30H44N2O5/c1-4-5-6-7-8-9-10-11-12-13-19-36-25(23-35-18-14-17-33)22-32-28-26-20-24(21-31)15-16-27(26)37-30(2,3)29(28)34/h14-16,20,23,28-29,32,34H,4-13,18-19,22H2,1-3H3/b25-23+