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

Systemtic Name: 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-1-[5-(hydroxymethyl)-5-(2-methoxyphenyl)pyrrolidin-3-yl]ethanone Openeye Name: 2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-1-[5-(hydroxymethyl)-5-(2-methoxyphenyl)pyrrolidin-3-yl]ethanone CAS Name: 2-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]-1-[5-(hydroxymethyl)-5-(2-methoxyphenyl)-3-pyrrolidinyl]ethanone IUPAC Name: 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-1-[5-(hydroxymethyl)-5-(2-methoxyphenyl)pyrrolidin-3-yl]ethanone Traditional Name: 2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-1-[5-(2-methoxyphenyl)-5-methylol-pyrrolidin-3-yl]ethanone Formula: C30H39N3O4 MolecularWeight: 505.64836

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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=C4OC

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC(=O)C3CC(NC3)(CO)C4=CC=CC=C4OC

InChI

InChI=1S/C30H39N3O4/c1-4-5-11-24-17-22-10-6-7-12-25(22)29(32-24)37-16-15-33(2)20-27(35)23-18-30(21-34,31-19-23)26-13-8-9-14-28(26)36-3/h6-10,12-14,17,23,31,34H,4-5,11,15-16,18-21H2,1-3H3