(6-chloranyl-1H-indol-3-yl) 2-methyl-3-oxidanylidene-3-(4-propan-2-yloxyphenyl)propanoate

Systemtic Name: (6-chloranyl-1H-indol-3-yl) 2-methyl-3-oxidanylidene-3-(4-propan-2-yloxyphenyl)propanoate Openeye Name: (6-chloro-1H-indol-3-yl) 3-(4-isopropoxyphenyl)-2-methyl-3-oxo-propanoate CAS Name: 2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid (6-chloro-1H-indol-3-yl) ester IUPAC Name: (6-chloro-1H-indol-3-yl) 2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoate Traditional Name: 3-(4-isopropoxyphenyl)-3-keto-2-methyl-propionic acid (6-chloro-1H-indol-3-yl) ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)C(C)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)C(C)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C21H20ClNO4/c1-12(2)26-16-7-4-14(5-8-16)20(24)13(3)21(25)27-19-11-23-18-10-15(22)6-9-17(18)19/h4-13,23H,1-3H3