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

Systemtic Name: 2-[4-[(4-phenylbutanoylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(4-phenylbutanoylamino)methyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[(1-oxo-4-phenylbutyl)amino]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(4-phenylbutanoylamino)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[(4-phenylbutanoylamino)methyl]piperidino]ethyl ester Formula: C26H34ClN3O4 MolecularWeight: 488.01886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)CCCC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)CCCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C26H34ClN3O4/c1-33-24-17-23(28)22(27)16-21(24)26(32)34-15-14-30-12-10-20(11-13-30)18-29-25(31)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,16-17,20H,5,8-15,18,28H2,1H3,(H,29,31)