methyl 3-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1H-indol-5-yl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1H-indol-5-yl)phenyl]propanoate Openeye Name: methyl 3-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1H-indol-5-yl)phenyl]propanoate CAS Name: 3-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1H-indol-5-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1H-indol-5-yl)phenyl]propanoate Traditional Name: 3-[4-(cyclohexylmethoxy)-3-(2,3-dimethyl-1H-indol-5-yl)phenyl]propionic acid methyl ester Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)OC)OCC4CCCCC4)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)OC)OCC4CCCCC4)C

InChI

InChI=1S/C27H33NO3/c1-18-19(2)28-25-12-11-22(16-23(18)25)24-15-20(10-14-27(29)30-3)9-13-26(24)31-17-21-7-5-4-6-8-21/h9,11-13,15-16,21,28H,4-8,10,14,17H2,1-3H3