2-[3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethyl benzoate

Systemtic Name: 2-[3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethyl benzoate Openeye Name: 2-[3-[[(3R)-3-(5-isoquinolylamino)pyrrolidin-1-yl]methyl]phenoxy]ethyl benzoate CAS Name: benzoic acid 2-[3-[[(3R)-3-(5-isoquinolinylamino)-1-pyrrolidinyl]methyl]phenoxy]ethyl ester IUPAC Name: 2-[3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethyl benzoate Traditional Name: benzoic acid 2-[3-[[(3R)-3-(5-isoquinolylamino)pyrrolidino]methyl]phenoxy]ethyl ester Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=CC=CC3=C2C=CN=C3)CC4=CC(=CC=C4)OCCOC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C[C@@H]1NC2=CC=CC3=C2C=CN=C3)CC4=CC(=CC=C4)OCCOC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3/c33-29(23-7-2-1-3-8-23)35-17-16-34-26-10-4-6-22(18-26)20-32-15-13-25(21-32)31-28-11-5-9-24-19-30-14-12-27(24)28/h1-12,14,18-19,25,31H,13,15-17,20-21H2/t25-/m1/s1