methyl 4-[2-[1-[2-(azocan-1-yl)-5-chloranyl-phenyl]ethylamino]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: methyl 4-[2-[1-[2-(azocan-1-yl)-5-chloranyl-phenyl]ethylamino]-2-oxidanylidene-ethyl]benzoate Openeye Name: methyl 4-[2-[1-[2-(azocan-1-yl)-5-chloro-phenyl]ethylamino]-2-oxo-ethyl]benzoate CAS Name: 4-[2-[1-[2-(1-azocanyl)-5-chlorophenyl]ethylamino]-2-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[2-(azocan-1-yl)-5-chlorophenyl]ethylamino]-2-oxoethyl]benzoate Traditional Name: 4-[2-[1-[2-(azocan-1-yl)-5-chloro-phenyl]ethylamino]-2-keto-ethyl]benzoic acid methyl ester Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)N2CCCCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C1=C(C=CC(=C1)Cl)N2CCCCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H31ClN2O3/c1-18(27-24(29)16-19-8-10-20(11-9-19)25(30)31-2)22-17-21(26)12-13-23(22)28-14-6-4-3-5-7-15-28/h8-13,17-18H,3-7,14-16H2,1-2H3,(H,27,29)