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

Systemtic Name: 2-[4-[(3-phenylpropanoylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(3-phenylpropanoylamino)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-phenylpropyl)amino]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(3-phenylpropanoylamino)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[(hydrocinnamoylamino)methyl]piperidino]ethyl ester Formula: C25H32ClN3O4 MolecularWeight: 473.99228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)CCC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)CCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C25H32ClN3O4/c1-32-23-16-22(27)21(26)15-20(23)25(31)33-14-13-29-11-9-19(10-12-29)17-28-24(30)8-7-18-5-3-2-4-6-18/h2-6,15-16,19H,7-14,17,27H2,1H3,(H,28,30)