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

Systemtic Name: 2-[4-(3-thiophen-2-ylpropanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[3-(2-thienyl)propanoylamino]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[(1-oxo-3-thiophen-2-ylpropyl)amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(3-thiophen-2-ylpropanoylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[3-(2-thienyl)propanoylamino]piperidino]ethyl ester Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCC3=CC=CS3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCC3=CC=CS3)Cl)N

InChI

InChI=1S/C22H28ClN3O4S/c1-29-20-14-19(24)18(23)13-17(20)22(28)30-11-10-26-8-6-15(7-9-26)25-21(27)5-4-16-3-2-12-31-16/h2-3,12-15H,4-11,24H2,1H3,(H,25,27)