methyl 4-[[4-[3-(2-dimethylaminoethylamino)-3-oxidanylidene-propyl]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[3-(2-dimethylaminoethylamino)-3-oxidanylidene-propyl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-(2-dimethylaminoethylamino)-3-oxo-propyl]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[3-(2-dimethylaminoethylamino)-3-oxopropyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(2-dimethylaminoethylamino)-3-oxopropyl]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-(2-dimethylaminoethylamino)-3-keto-propyl]piperidino]methyl]benzoic acid methyl ester Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CCC1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)CCNC(=O)CCC1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H33N3O3/c1-23(2)15-12-22-20(25)9-6-17-10-13-24(14-11-17)16-18-4-7-19(8-5-18)21(26)27-3/h4-5,7-8,17H,6,9-16H2,1-3H3,(H,22,25)