O7-cyano O1-methyl 4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-methyl-heptanedioate

Systemtic Name: O7-cyano O1-methyl 4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-methyl-heptanedioate Openeye Name: O7-cyano O1-methyl 4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-methyl-heptanedioate CAS Name: 4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-methylheptanedioic acid O7-cyano ester O1-methyl ester IUPAC Name: 7-O-cyano 1-O-methyl 4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-methylheptanedioate Traditional Name: 4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-methyl-pimelic acid O7-cyano ester O1-methyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCC(=O)OC#N)C1=CC(=C(C=C1)OC)OCC2CC2)C(=O)OC

Isomeric SMILES

CC(CC(CCC(=O)OC#N)C1=CC(=C(C=C1)OC)OCC2CC2)C(=O)OC

InChI

InChI=1S/C21H27NO6/c1-14(21(24)26-3)10-16(7-9-20(23)28-13-22)17-6-8-18(25-2)19(11-17)27-12-15-4-5-15/h6,8,11,14-16H,4-5,7,9-10,12H2,1-3H3