[7-[(4-methoxyphenyl)methoxy]-2,5,5-trimethyl-3-oxidanylidene-cyclohepten-1-yl] 3-chloranylbenzoate

Systemtic Name: [7-[(4-methoxyphenyl)methoxy]-2,5,5-trimethyl-3-oxidanylidene-cyclohepten-1-yl] 3-chloranylbenzoate Openeye Name: [7-[(4-methoxyphenyl)methoxy]-2,5,5-trimethyl-3-oxo-cyclohepten-1-yl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [7-[(4-methoxyphenyl)methoxy]-2,5,5-trimethyl-3-oxo-1-cycloheptenyl] ester IUPAC Name: [7-[(4-methoxyphenyl)methoxy]-2,5,5-trimethyl-3-oxocyclohepten-1-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (3-keto-2,5,5-trimethyl-7-p-anisyloxy-cyclohepten-1-yl) ester Formula: C25H27ClO5 MolecularWeight: 442.93188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(CC1=O)(C)C)OCC2=CC=C(C=C2)OC)OC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(CC(CC1=O)(C)C)OCC2=CC=C(C=C2)OC)OC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H27ClO5/c1-16-21(27)13-25(2,3)14-22(30-15-17-8-10-20(29-4)11-9-17)23(16)31-24(28)18-6-5-7-19(26)12-18/h5-12,22H,13-15H2,1-4H3