2-[3-[(3S)-1-[(4-ethylphenyl)methoxycarbonyl]piperidin-3-yl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[(3S)-1-[(4-ethylphenyl)methoxycarbonyl]piperidin-3-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[(3S)-1-[(4-ethylphenyl)methoxycarbonyl]-3-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[(3S)-1-[(4-ethylphenyl)methoxy-oxomethyl]-3-piperidinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[(3S)-1-[(4-ethylphenyl)methoxycarbonyl]piperidin-3-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[(3S)-1-(4-ethylbenzyl)oxycarbonyl-3-piperidyl]phenoxy]-2-methyl-propionic acid Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)COC(=O)N2CCCC(C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)COC(=O)N2CCC[C@H](C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C25H31NO5/c1-4-18-10-12-19(13-11-18)17-30-24(29)26-14-6-8-21(16-26)20-7-5-9-22(15-20)31-25(2,3)23(27)28/h5,7,9-13,15,21H,4,6,8,14,16-17H2,1-3H3,(H,27,28)/t21-/m1/s1