N-cyano-N'-[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]pentanimidamide

Systemtic Name: N-cyano-N'-[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]pentanimidamide Openeye Name: N-cyano-N'-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]pentanamidine CAS Name: N-cyano-N'-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]pentanimidamide IUPAC Name: N-cyano-N'-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]pentanimidamide Traditional Name: N-cyano-N'-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]valeramidine Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)NC#N

Isomeric SMILES

CCCCC(=N[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)NC#N

InChI

InChI=1S/C18H22N4O2/c1-4-5-6-15(21-11-20)22-16-13-9-12(10-19)7-8-14(13)24-18(2,3)17(16)23/h7-9,16-17,23H,4-6H2,1-3H3,(H,21,22)/t16-,17+/m0/s1