1,2,3,4-tetrahydronaphthalen-2-ylmethyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate

Systemtic Name: 1,2,3,4-tetrahydronaphthalen-2-ylmethyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: tetralin-2-ylmethyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate CAS Name: 2-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]acetic acid 1,2,3,4-tetrahydronaphthalen-2-ylmethyl ester IUPAC Name: 1,2,3,4-tetrahydronaphthalen-2-ylmethyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate Traditional Name: 2-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]acetic acid tetralin-2-ylmethyl ester Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCC4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCC4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H38N2O3/c32-28(34-21-22-9-10-24-7-1-2-8-25(24)15-22)18-23-16-26(19-30-11-3-4-12-30)29(33)27(17-23)20-31-13-5-6-14-31/h1-2,7-8,16-17,22,33H,3-6,9-15,18-21H2