2-[(3R,4S)-3-(2-diethylaminoethyl)-1-(4-dimethylaminophenyl)carbonyl-piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[(3R,4S)-3-(2-diethylaminoethyl)-1-(4-dimethylaminophenyl)carbonyl-piperidin-4-yl]ethanoic acid Openeye Name: 2-[(3R,4S)-3-(2-diethylaminoethyl)-1-[4-(dimethylamino)benzoyl]-4-piperidyl]acetic acid CAS Name: 2-[(3R,4S)-3-(2-diethylaminoethyl)-1-[(4-dimethylaminophenyl)-oxomethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[(3R,4S)-3-(2-diethylaminoethyl)-1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[(3R,4S)-3-(2-diethylaminoethyl)-1-[4-(dimethylamino)benzoyl]-4-piperidyl]acetic acid Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1CN(CCC1CC(=O)O)C(=O)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCN(CC)CC[C@H]1CN(CC[C@H]1CC(=O)O)C(=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C22H35N3O3/c1-5-24(6-2)13-11-19-16-25(14-12-18(19)15-21(26)27)22(28)17-7-9-20(10-8-17)23(3)4/h7-10,18-19H,5-6,11-16H2,1-4H3,(H,26,27)/t18-,19-/m0/s1