methyl (2S)-2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-[(3-hydroxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-[(3-hydroxyphenyl)methyl]-4-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(3-hydroxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-(3-hydroxybenzyl)isonipecotoyl]amino]-2-phenyl-acetic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)O

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)O

InChI

InChI=1S/C22H26N2O4/c1-28-22(27)20(17-7-3-2-4-8-17)23-21(26)18-10-12-24(13-11-18)15-16-6-5-9-19(25)14-16/h2-9,14,18,20,25H,10-13,15H2,1H3,(H,23,26)/t20-/m0/s1