methyl 2-cycloheptyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]ethanoate

Systemtic Name: methyl 2-cycloheptyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]ethanoate Openeye Name: methyl 2-cycloheptyl-2-[3-isobutyl-4-(2-quinolylmethoxy)phenyl]acetate CAS Name: 2-cycloheptyl-2-[3-(2-methylpropyl)-4-(2-quinolinylmethoxy)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-cycloheptyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]acetate Traditional Name: 2-cycloheptyl-2-[3-isobutyl-4-(2-quinolylmethoxy)phenyl]acetic acid methyl ester Formula: C30H37NO3 MolecularWeight: 459.61968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C(C2CCCCCC2)C(=O)OC)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C(C2CCCCCC2)C(=O)OC)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H37NO3/c1-21(2)18-25-19-24(29(30(32)33-3)23-11-6-4-5-7-12-23)15-17-28(25)34-20-26-16-14-22-10-8-9-13-27(22)31-26/h8-10,13-17,19,21,23,29H,4-7,11-12,18,20H2,1-3H3