1-cyano-2-[(3S,4R)-6-ethanoyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-phenyl-guanidine

Systemtic Name: 1-cyano-2-[(3S,4R)-6-ethanoyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-phenyl-guanidine Openeye Name: 2-[(3S,4R)-6-acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-1-cyano-3-phenyl-guanidine CAS Name: 2-[(3S,4R)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-1-cyano-3-phenylguanidine IUPAC Name: 2-[(3S,4R)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-cyano-3-phenylguanidine Traditional Name: 2-[(3S,4R)-6-acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-1-cyano-3-phenyl-guanidine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC(C(C2N=C(NC#N)NC3=CC=CC=C3)O)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OC([C@H]([C@@H]2N=C(NC#N)NC3=CC=CC=C3)O)(C)C

InChI

InChI=1S/C21H22N4O3/c1-13(26)14-9-10-17-16(11-14)18(19(27)21(2,3)28-17)25-20(23-12-22)24-15-7-5-4-6-8-15/h4-11,18-19,27H,1-3H3,(H2,23,24,25)/t18-,19+/m1/s1