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

Systemtic Name: 1-[2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-phenyl-amino]ethyl]-3-phenyl-urea Openeye Name: 1-[2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)anilino)ethyl]-3-phenyl-urea CAS Name: 1-[2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)anilino)ethyl]-3-phenylurea IUPAC Name: 1-[2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)anilino)ethyl]-3-phenylurea Traditional Name: 1-[2-(N-(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)N(CCNC(=O)NC3=CC=CC=C3)C4=CC=CC=C4)O)C

Isomeric SMILES

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

InChI

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