2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[(3R,5S)-3,5-dimethyl-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]ethyl ester IUPAC Name: 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[(3R,5S)-3,5-dimethylpiperidino]ethyl ester Formula: C17H25ClN2O3 MolecularWeight: 340.845

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl)C

InChI

InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3/t11-,12+