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

Systemtic Name: 2-[4-(3-methylbutanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(3-methylbutanoylamino)-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]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(3-methylbutanoylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(isovalerylamino)piperidino]ethyl ester Formula: C20H30ClN3O4 MolecularWeight: 411.9229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

Isomeric SMILES

CC(C)CC(=O)NC1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C20H30ClN3O4/c1-13(2)10-19(25)23-14-4-6-24(7-5-14)8-9-28-20(26)15-11-16(21)17(22)12-18(15)27-3/h11-14H,4-10,22H2,1-3H3,(H,23,25)