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

Systemtic Name: 2-[4-[(butanoylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(butanoylamino)methyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[(1-oxobutylamino)methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(butanoylamino)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(butyramidomethyl)piperidino]ethyl ester Formula: C20H30ClN3O4 MolecularWeight: 411.9229

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

Isomeric SMILES

CCCC(=O)NCC1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C20H30ClN3O4/c1-3-4-19(25)23-13-14-5-7-24(8-6-14)9-10-28-20(26)15-11-16(21)17(22)12-18(15)27-2/h11-12,14H,3-10,13,22H2,1-2H3,(H,23,25)