1-[2-[[2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)phenyl]amino]ethyl]-3-phenyl-urea

Systemtic Name: 1-[2-[[2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)phenyl]amino]ethyl]-3-phenyl-urea Openeye Name: 1-[2-[2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)anilino]ethyl]-3-phenyl-urea CAS Name: 1-[2-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)anilino]ethyl]-3-phenylurea IUPAC Name: 1-[2-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)anilino]ethyl]-3-phenylurea Traditional Name: 1-[2-[2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)anilino]ethyl]-3-phenyl-urea Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)C3=CC=CC=C3NCCNC(=O)NC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)C3=CC=CC=C3NCCNC(=O)NC4=CC=CC=C4)O)C

InChI

InChI=1S/C27H28N4O3/c1-27(2)25(32)24(21-16-18(17-28)12-13-23(21)34-27)20-10-6-7-11-22(20)29-14-15-30-26(33)31-19-8-4-3-5-9-19/h3-13,16,24-25,29,32H,14-15H2,1-2H3,(H2,30,31,33)