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

Systemtic Name: 2-[4-(4-azanylbutanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(4-aminobutanoylamino)-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[(4-amino-1-oxobutyl)amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(4-aminobutanoylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(4-aminobutanoylamino)piperidino]ethyl ester Formula: C19H29ClN4O4 MolecularWeight: 412.91096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN4O4/c1-27-17-12-16(22)15(20)11-14(17)19(26)28-10-9-24-7-4-13(5-8-24)23-18(25)3-2-6-21/h11-13H,2-10,21-22H2,1H3,(H,23,25)