methyl 3-[1-[(4-chlorophenyl)methyl]-4-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[1-[(4-chlorophenyl)methyl]-4-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[1-[(4-chlorophenyl)methyl]-4-hydroxy-indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[1-[(4-chlorophenyl)methyl]-4-hydroxy-2-indolyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[1-[(4-chlorophenyl)methyl]-4-hydroxyindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[1-(4-chlorobenzyl)-4-hydroxy-indol-2-yl]-2,2-dimethyl-propionic acid methyl ester Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=C(N1CC3=CC=C(C=C3)Cl)C=CC=C2O)C(=O)OC

Isomeric SMILES

CC(C)(CC1=CC2=C(N1CC3=CC=C(C=C3)Cl)C=CC=C2O)C(=O)OC

InChI

InChI=1S/C21H22ClNO3/c1-21(2,20(25)26-3)12-16-11-17-18(5-4-6-19(17)24)23(16)13-14-7-9-15(22)10-8-14/h4-11,24H,12-13H2,1-3H3