2-[4-(3-azanylpropanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-(3-azanylpropanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(3-aminopropanoylamino)-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[(3-amino-1-oxopropyl)amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(3-aminopropanoylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(3-aminopropanoylamino)piperidino]ethyl ester Formula: C18H27ClN4O4 MolecularWeight: 398.88438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O4/c1-26-16-11-15(21)14(19)10-13(16)18(25)27-9-8-23-6-3-12(4-7-23)22-17(24)2-5-20/h10-12H,2-9,20-21H2,1H3,(H,22,24)