(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoate

Systemtic Name: (3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoate Openeye Name: (3S)-3-(4-isopropoxyphenyl)-4-methyl-pentanoate CAS Name: (3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoate IUPAC Name: (3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoate Traditional Name: (3S)-3-(4-isopropoxyphenyl)-4-methyl-valerate Formula: C15H21O3- MolecularWeight: 249.32544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)[O-])C1=CC=C(C=C1)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3/c1-10(2)14(9-15(16)17)12-5-7-13(8-6-12)18-11(3)4/h5-8,10-11,14H,9H2,1-4H3,(H,16,17)/p-1/t14-/m0/s1