2-(4,4-dimethylcyclohexyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol

Systemtic Name: 2-(4,4-dimethylcyclohexyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Openeye Name: 2-(4,4-dimethylcyclohexyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol CAS Name: 2-(4,4-dimethylcyclohexyl)-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-1H-isoquinolin-6-ol IUPAC Name: 2-(4,4-dimethylcyclohexyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Traditional Name: 2-(4,4-dimethylcyclohexyl)-1-[4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)N2CCC3=C(C2C4=CC=C(C=C4)OCCN5CCCC5)C=CC(=C3)O)C

Isomeric SMILES

CC1(CCC(CC1)N2CCC3=C(C2C4=CC=C(C=C4)OCCN5CCCC5)C=CC(=C3)O)C

InChI

InChI=1S/C29H40N2O2/c1-29(2)14-11-24(12-15-29)31-18-13-23-21-25(32)7-10-27(23)28(31)22-5-8-26(9-6-22)33-20-19-30-16-3-4-17-30/h5-10,21,24,28,32H,3-4,11-20H2,1-2H3