(3S,4R)-2,2-dimethyl-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydrochromen-7-ol

Systemtic Name: (3S,4R)-2,2-dimethyl-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydrochromen-7-ol Openeye Name: (3S,4R)-2,2-dimethyl-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-7-ol CAS Name: (3S,4R)-2,2-dimethyl-3-phenyl-4-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: (3S,4R)-2,2-dimethyl-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydrochromen-7-ol Traditional Name: (3S,4R)-2,2-dimethyl-3-phenyl-4-[4-(2-pyrrolidinoethoxy)phenyl]chroman-7-ol Formula: C29H33NO3 MolecularWeight: 443.57722

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1([C@@H]([C@@H](C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H33NO3/c1-29(2)28(22-8-4-3-5-9-22)27(25-15-12-23(31)20-26(25)33-29)21-10-13-24(14-11-21)32-19-18-30-16-6-7-17-30/h3-5,8-15,20,27-28,31H,6-7,16-19H2,1-2H3/t27-,28-/m1/s1