[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCCC2C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCC[C@@H]2C

InChI

InChI=1S/C21H30N2O5/c1-3-4-13-27-18-10-8-17(9-11-18)21(26)22-14-20(25)28-15-19(24)23-12-6-5-7-16(23)2/h8-11,16H,3-7,12-15H2,1-2H3,(H,22,26)/t16-/m0/s1