[4-[(2S,4R)-2-(hydroxymethyl)-5-oxidanylidene-4-propan-2-yl-pyrrolidin-3-yl]naphthalen-1-yl] nonanoate

Systemtic Name: [4-[(2S,4R)-2-(hydroxymethyl)-5-oxidanylidene-4-propan-2-yl-pyrrolidin-3-yl]naphthalen-1-yl] nonanoate Openeye Name: [4-[(2S,4R)-2-(hydroxymethyl)-4-isopropyl-5-oxo-pyrrolidin-3-yl]-1-naphthyl] nonanoate CAS Name: nonanoic acid [4-[(2S,4R)-2-(hydroxymethyl)-5-oxo-4-propan-2-yl-3-pyrrolidinyl]-1-naphthalenyl] ester IUPAC Name: [4-[(2S,4R)-2-(hydroxymethyl)-5-oxo-4-propan-2-ylpyrrolidin-3-yl]naphthalen-1-yl] nonanoate Traditional Name: pelargonic acid [4-[(2S,4R)-4-isopropyl-5-keto-2-methylol-pyrrolidin-3-yl]-1-naphthyl] ester Formula: C27H37NO4 MolecularWeight: 439.58698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)C3[C@H](NC(=O)[C@@H]3C(C)C)CO

InChI

InChI=1S/C27H37NO4/c1-4-5-6-7-8-9-14-24(30)32-23-16-15-21(19-12-10-11-13-20(19)23)26-22(17-29)28-27(31)25(26)18(2)3/h10-13,15-16,18,22,25-26,29H,4-9,14,17H2,1-3H3,(H,28,31)/t22-,25-,26?/m1/s1