2-[4-(11-azanylundecanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-(11-azanylundecanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(11-aminoundecanoylamino)-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[(11-amino-1-oxoundecyl)amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(11-aminoundecanoylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(11-aminoundecanoylamino)piperidino]ethyl ester Formula: C26H43ClN4O4 MolecularWeight: 511.09702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43ClN4O4/c1-34-24-19-23(29)22(27)18-21(24)26(33)35-17-16-31-14-11-20(12-15-31)30-25(32)10-8-6-4-2-3-5-7-9-13-28/h18-20H,2-17,28-29H2,1H3,(H,30,32)