methyl (3R,4S)-4-methanoyl-3-(4-propan-2-ylphenoxy)hexanoate

Systemtic Name: methyl (3R,4S)-4-methanoyl-3-(4-propan-2-ylphenoxy)hexanoate Openeye Name: methyl (3R,4S)-4-formyl-3-(4-isopropylphenoxy)hexanoate CAS Name: (3R,4S)-4-formyl-3-(4-propan-2-ylphenoxy)hexanoic acid methyl ester IUPAC Name: methyl (3R,4S)-4-formyl-3-(4-propan-2-ylphenoxy)hexanoate Traditional Name: (3R,4S)-4-formyl-3-(4-isopropylphenoxy)hexanoic acid methyl ester Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)C(CC(=O)OC)OC1=CC=C(C=C1)C(C)C

Isomeric SMILES

CC[C@H](C=O)[C@@H](CC(=O)OC)OC1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C17H24O4/c1-5-13(11-18)16(10-17(19)20-4)21-15-8-6-14(7-9-15)12(2)3/h6-9,11-13,16H,5,10H2,1-4H3/t13-,16-/m1/s1