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

Systemtic Name: 2-[4-(5-phenylpentanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(5-phenylpentanoylamino)-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]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(5-phenylpentanoylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(5-phenylpentanoylamino)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)NC(=O)CCCCC3=CC=CC=C3)Cl)N

Isomeric SMILES

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

InChI

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