methyl 4-[[(3S)-1-methylpiperidin-3-yl]methyl-phenethyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(3S)-1-methylpiperidin-3-yl]methyl-phenethyl-amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(3S)-1-methyl-3-piperidyl]methyl-phenethyl-amino]-4-oxo-butanoate CAS Name: 4-[[(3S)-1-methyl-3-piperidinyl]methyl-phenethylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-methylpiperidin-3-yl]methyl-phenethylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(3S)-1-methyl-3-piperidyl]methyl-phenethyl-amino]butyric acid methyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)CN(CCC2=CC=CC=C2)C(=O)CCC(=O)OC

Isomeric SMILES

CN1CCC[C@@H](C1)CN(CCC2=CC=CC=C2)C(=O)CCC(=O)OC

InChI

InChI=1S/C20H30N2O3/c1-21-13-6-9-18(15-21)16-22(19(23)10-11-20(24)25-2)14-12-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-/m0/s1