[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCC2=CCCCC2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCC2=CCCCC2)Cl)N

InChI

InChI=1S/C18H23ClN2O4/c1-24-16-10-15(20)14(19)9-13(16)18(23)25-11-17(22)21-8-7-12-5-3-2-4-6-12/h5,9-10H,2-4,6-8,11,20H2,1H3,(H,21,22)