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

Systemtic Name: methyl 2-cycloheptyl-2-[2-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]ethanoate Openeye Name: methyl 2-cycloheptyl-2-[2-isobutyl-4-(2-quinolylmethoxy)phenyl]acetate CAS Name: 2-cycloheptyl-2-[2-(2-methylpropyl)-4-(2-quinolinylmethoxy)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-cycloheptyl-2-[2-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]acetate Traditional Name: 2-cycloheptyl-2-[2-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)OCC2=NC3=CC=CC=C3C=C2)C(C4CCCCCC4)C(=O)OC

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)C(C4CCCCCC4)C(=O)OC

InChI

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