[4-[2-(hydroxymethyl)-5-oxidanylidene-4-propan-2-yl-pyrrolidin-3-yl]naphthalen-1-yl] hexanoate

Systemtic Name: [4-[2-(hydroxymethyl)-5-oxidanylidene-4-propan-2-yl-pyrrolidin-3-yl]naphthalen-1-yl] hexanoate Openeye Name: [4-[2-(hydroxymethyl)-4-isopropyl-5-oxo-pyrrolidin-3-yl]-1-naphthyl] hexanoate CAS Name: hexanoic acid [4-[2-(hydroxymethyl)-5-oxo-4-propan-2-yl-3-pyrrolidinyl]-1-naphthalenyl] ester IUPAC Name: [4-[2-(hydroxymethyl)-5-oxo-4-propan-2-ylpyrrolidin-3-yl]naphthalen-1-yl] hexanoate Traditional Name: hexanoic acid [4-(4-isopropyl-5-keto-2-methylol-pyrrolidin-3-yl)-1-naphthyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)C3C(NC(=O)C3C(C)C)CO

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)C3C(NC(=O)C3C(C)C)CO

InChI

InChI=1S/C24H31NO4/c1-4-5-6-11-21(27)29-20-13-12-18(16-9-7-8-10-17(16)20)23-19(14-26)25-24(28)22(23)15(2)3/h7-10,12-13,15,19,22-23,26H,4-6,11,14H2,1-3H3,(H,25,28)