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

Systemtic Name: 2-[4-[(3,3-dimethylbutanoylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(3,3-dimethylbutanoylamino)methyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[(3,3-dimethyl-1-oxobutyl)amino]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(3,3-dimethylbutanoylamino)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[(3,3-dimethylbutanoylamino)methyl]piperidino]ethyl ester Formula: C22H34ClN3O4 MolecularWeight: 439.97606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34ClN3O4/c1-22(2,3)13-20(27)25-14-15-5-7-26(8-6-15)9-10-30-21(28)16-11-17(23)18(24)12-19(16)29-4/h11-12,15H,5-10,13-14,24H2,1-4H3,(H,25,27)