2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-1-[5-(hydroxymethyl)-5-phenyl-pyrrolidin-3-yl]ethanone

Systemtic Name: 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-1-[5-(hydroxymethyl)-5-phenyl-pyrrolidin-3-yl]ethanone Openeye Name: 2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-1-[5-(hydroxymethyl)-5-phenyl-pyrrolidin-3-yl]ethanone CAS Name: 2-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]-1-[5-(hydroxymethyl)-5-phenyl-3-pyrrolidinyl]ethanone IUPAC Name: 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-1-[5-(hydroxymethyl)-5-phenylpyrrolidin-3-yl]ethanone Traditional Name: 2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-1-(5-methylol-5-phenyl-pyrrolidin-3-yl)ethanone Formula: C29H37N3O3 MolecularWeight: 475.62238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC(=O)C3CC(NC3)(CO)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC(=O)C3CC(NC3)(CO)C4=CC=CC=C4

InChI

InChI=1S/C29H37N3O3/c1-3-4-13-25-17-22-10-8-9-14-26(22)28(31-25)35-16-15-32(2)20-27(34)23-18-29(21-33,30-19-23)24-11-6-5-7-12-24/h5-12,14,17,23,30,33H,3-4,13,15-16,18-21H2,1-2H3