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

Systemtic Name: 1-cyano-2-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)guanidine Openeye Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-(3,4-dimethylphenyl)guanidine CAS Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(3,4-dimethylphenyl)guanidine IUPAC Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)guanidine Traditional Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-(3,4-dimethylphenyl)guanidine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=NC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)NC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O)NC#N)C

InChI

InChI=1S/C22H23N5O2/c1-13-5-7-16(9-14(13)2)26-21(25-12-24)27-19-17-10-15(11-23)6-8-18(17)29-22(3,4)20(19)28/h5-10,19-20,28H,1-4H3,(H2,25,26,27)/t19-,20+/m1/s1