[4-[2-(hydroxymethyl)-5-oxidanylidene-4-propan-2-yl-pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalen-1-yl] nonanoate

Systemtic Name: [4-[2-(hydroxymethyl)-5-oxidanylidene-4-propan-2-yl-pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalen-1-yl] nonanoate Openeye Name: [8-[2-(hydroxymethyl)-4-isopropyl-5-oxo-pyrrolidin-3-yl]tetralin-5-yl] nonanoate CAS Name: nonanoic acid [4-[2-(hydroxymethyl)-5-oxo-4-propan-2-yl-3-pyrrolidinyl]-5,6,7,8-tetrahydronaphthalen-1-yl] ester IUPAC Name: [4-[2-(hydroxymethyl)-5-oxo-4-propan-2-ylpyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalen-1-yl] nonanoate Traditional Name: pelargonic acid [8-(4-isopropyl-5-keto-2-methylol-pyrrolidin-3-yl)tetralin-5-yl] ester Formula: C27H41NO4 MolecularWeight: 443.61874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=C2CCCCC2=C(C=C1)C3C(NC(=O)C3C(C)C)CO

Isomeric SMILES

CCCCCCCCC(=O)OC1=C2CCCCC2=C(C=C1)C3C(NC(=O)C3C(C)C)CO

InChI

InChI=1S/C27H41NO4/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/h15-16,18,22,25-26,29H,4-14,17H2,1-3H3,(H,28,31)