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

Systemtic Name: 2-[4-(butanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(butanoylamino)-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(1-oxobutylamino)-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(butanoylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-(4-butyramidopiperidino)ethyl ester Formula: C19H28ClN3O4 MolecularWeight: 397.89632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

Isomeric SMILES

CCCC(=O)NC1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C19H28ClN3O4/c1-3-4-18(24)22-13-5-7-23(8-6-13)9-10-27-19(25)14-11-15(20)16(21)12-17(14)26-2/h11-13H,3-10,21H2,1-2H3,(H,22,24)