[4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methyl]-2-(hydroxymethyl)-2-(4-methoxyphenyl)pyrrolidin-3-ylidene]methanone

Systemtic Name: [4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methyl]-2-(hydroxymethyl)-2-(4-methoxyphenyl)pyrrolidin-3-ylidene]methanone Openeye Name: [4-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methyl]-2-(hydroxymethyl)-2-(4-methoxyphenyl)pyrrolidin-3-ylidene]methanone CAS Name: [4-[[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]methyl]-2-(hydroxymethyl)-2-(4-methoxyphenyl)-3-pyrrolidinylidene]methanone IUPAC Name: [4-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]methyl]-2-(hydroxymethyl)-2-(4-methoxyphenyl)pyrrolidin-3-ylidene]methanone Traditional Name: [4-[[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methyl]-2-(4-methoxyphenyl)-2-methylol-pyrrolidin-3-ylidene]methanone Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC3CNC(C3=C=O)(CO)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC3CNC(C3=C=O)(CO)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H37N3O4/c1-4-5-9-25-17-22-8-6-7-10-27(22)29(32-25)37-16-15-33(2)19-23-18-31-30(21-35,28(23)20-34)24-11-13-26(36-3)14-12-24/h6-8,10-14,17,23,31,35H,4-5,9,15-16,18-19,21H2,1-3H3