[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H28ClNO5 MolecularWeight: 397.89302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)N2CCCCCC2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)N2CCCCCC2)OC

InChI

InChI=1S/C20H28ClNO5/c1-13(2)26-18-16(21)11-15(12-17(18)25-4)20(24)27-14(3)19(23)22-9-7-5-6-8-10-22/h11-14H,5-10H2,1-4H3