methyl 3-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidine-1-carbonyl]benzoate CAS Name: 3-[[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidine-1-carbonyl]benzoate Traditional Name: 3-[(3S)-3-methylol-3-(2-phenoxyethyl)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCCC(C2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC[C@@](C2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C23H27NO5/c1-28-22(27)19-8-5-7-18(15-19)21(26)24-13-6-11-23(16-24,17-25)12-14-29-20-9-3-2-4-10-20/h2-5,7-10,15,25H,6,11-14,16-17H2,1H3/t23-/m0/s1