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

Systemtic Name: 2-[4-[(5-phenylpentanoylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(5-phenylpentanoylamino)methyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[(1-oxo-5-phenylpentyl)amino]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(5-phenylpentanoylamino)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[(5-phenylpentanoylamino)methyl]piperidino]ethyl ester Formula: C27H36ClN3O4 MolecularWeight: 502.04544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)CCCCC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)CCCCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C27H36ClN3O4/c1-34-25-18-24(29)23(28)17-22(25)27(33)35-16-15-31-13-11-21(12-14-31)19-30-26(32)10-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,17-18,21H,5-6,9-16,19,29H2,1H3,(H,30,32)