1H-indol-3-ylmethyl 2-(6-chloranyl-5-methyl-6-oxidanylidene-hexan-3-yl)-3-methoxy-benzoate

Systemtic Name: 1H-indol-3-ylmethyl 2-(6-chloranyl-5-methyl-6-oxidanylidene-hexan-3-yl)-3-methoxy-benzoate Openeye Name: 1H-indol-3-ylmethyl 2-(4-chloro-1-ethyl-3-methyl-4-oxo-butyl)-3-methoxy-benzoate CAS Name: 2-(6-chloro-5-methyl-6-oxohexan-3-yl)-3-methoxybenzoic acid 1H-indol-3-ylmethyl ester IUPAC Name: 1H-indol-3-ylmethyl 2-(6-chloro-5-methyl-6-oxohexan-3-yl)-3-methoxybenzoate Traditional Name: 2-(4-chloro-1-ethyl-4-keto-3-methyl-butyl)-3-methoxy-benzoic acid 1H-indol-3-ylmethyl ester Formula: C24H26ClNO4 MolecularWeight: 427.92054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)Cl)C1=C(C=CC=C1OC)C(=O)OCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC(CC(C)C(=O)Cl)C1=C(C=CC=C1OC)C(=O)OCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C24H26ClNO4/c1-4-16(12-15(2)23(25)27)22-19(9-7-11-21(22)29-3)24(28)30-14-17-13-26-20-10-6-5-8-18(17)20/h5-11,13,15-16,26H,4,12,14H2,1-3H3