1-cyano-1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(4-phenylmethoxyphenyl)guanidine

Systemtic Name: 1-cyano-1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(4-phenylmethoxyphenyl)guanidine Openeye Name: 2-(4-benzyloxyphenyl)-1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)guanidine CAS Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-(4-phenylmethoxyphenyl)guanidine IUPAC Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-phenylmethoxyphenyl)guanidine Traditional Name: 2-(4-benzoxyphenyl)-1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)guanidine Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C#N)C(=NC3=CC=C(C=C3)OCC4=CC=CC=C4)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C#N)C(=NC3=CC=C(C=C3)OCC4=CC=CC=C4)N)O)C

InChI

InChI=1S/C27H25N5O3/c1-27(2)25(33)24(22-14-19(15-28)8-13-23(22)35-27)32(17-29)26(30)31-20-9-11-21(12-10-20)34-16-18-6-4-3-5-7-18/h3-14,24-25,33H,16H2,1-2H3,(H2,30,31)