methyl 4-[[[(3S)-1-(2-dimethylaminoethyl)-6-oxidanylidene-piperidin-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[(3S)-1-(2-dimethylaminoethyl)-6-oxidanylidene-piperidin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[(3S)-1-(2-dimethylaminoethyl)-6-oxo-piperidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[(3S)-1-(2-dimethylaminoethyl)-6-oxo-3-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3S)-1-(2-dimethylaminoethyl)-6-oxopiperidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(3S)-1-(2-dimethylaminoethyl)-6-keto-nipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CC(CCC1=O)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)CCN1C[C@H](CCC1=O)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H27N3O4/c1-21(2)10-11-22-13-16(8-9-17(22)23)18(24)20-12-14-4-6-15(7-5-14)19(25)26-3/h4-7,16H,8-13H2,1-3H3,(H,20,24)/t16-/m0/s1