methyl 2-cycloheptyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethanoate

Systemtic Name: methyl 2-cycloheptyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethanoate Openeye Name: methyl 2-cycloheptyl-2-[4-(2-quinolylmethoxy)phenyl]acetate CAS Name: 2-cycloheptyl-2-[4-(2-quinolinylmethoxy)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-cycloheptyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetate Traditional Name: 2-cycloheptyl-2-[4-(2-quinolylmethoxy)phenyl]acetic acid methyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C(C1CCCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29NO3/c1-29-26(28)25(20-9-4-2-3-5-10-20)21-13-16-23(17-14-21)30-18-22-15-12-19-8-6-7-11-24(19)27-22/h6-8,11-17,20,25H,2-5,9-10,18H2,1H3