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

Systemtic Name: 1-cyano-2-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-(4-ethanoylphenyl)guanidine Openeye Name: 1-(4-acetylphenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine CAS Name: 1-(4-acetylphenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 1-(4-acetylphenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 1-(4-acetylphenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=NC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)NC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O)NC#N

InChI

InChI=1S/C22H21N5O3/c1-13(28)15-5-7-16(8-6-15)26-21(25-12-24)27-19-17-10-14(11-23)4-9-18(17)30-22(2,3)20(19)29/h4-10,19-20,29H,1-3H3,(H2,25,26,27)/t19-,20+/m1/s1