2-[4-[(3-methylbutanoylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[(3-methylbutanoylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(3-methylbutanoylamino)methyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[(3-methyl-1-oxobutyl)amino]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(3-methylbutanoylamino)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[(isovalerylamino)methyl]piperidino]ethyl ester Formula: C21H32ClN3O4 MolecularWeight: 425.94948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

Isomeric SMILES

CC(C)CC(=O)NCC1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C21H32ClN3O4/c1-14(2)10-20(26)24-13-15-4-6-25(7-5-15)8-9-29-21(27)16-11-17(22)18(23)12-19(16)28-3/h11-12,14-15H,4-10,13,23H2,1-3H3,(H,24,26)