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

Systemtic Name: 2-[4-[(thiophen-3-ylcarbonylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(thiophene-3-carbonylamino)methyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[[oxo(3-thiophenyl)methyl]amino]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(thiophene-3-carbonylamino)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[(3-thenoylamino)methyl]piperidino]ethyl ester Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)C3=CSC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)C3=CSC=C3)Cl)N

InChI

InChI=1S/C21H26ClN3O4S/c1-28-19-11-18(23)17(22)10-16(19)21(27)29-8-7-25-5-2-14(3-6-25)12-24-20(26)15-4-9-30-13-15/h4,9-11,13-14H,2-3,5-8,12,23H2,1H3,(H,24,26)