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

Systemtic Name: 2-[4-[(3-thiophen-2-ylpropanoylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[[3-(2-thienyl)propanoylamino]methyl]-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]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(3-thiophen-2-ylpropanoylamino)methyl]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]methyl]piperidino]ethyl ester Formula: C23H30ClN3O4S MolecularWeight: 480.02

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O4S/c1-30-21-14-20(25)19(24)13-18(21)23(29)31-11-10-27-8-6-16(7-9-27)15-26-22(28)5-4-17-3-2-12-32-17/h2-3,12-14,16H,4-11,15,25H2,1H3,(H,26,28)