2-[(3S)-4-phenylhexan-3-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(3S)-4-phenylhexan-3-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(1S)-1-ethyl-2-phenyl-butoxy]carbonylbenzoic acid CAS Name: 2-[oxo-[(3S)-4-phenylhexan-3-yl]oxymethyl]benzoic acid IUPAC Name: 2-[(3S)-4-phenylhexan-3-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(1S)-1-ethyl-2-phenyl-butoxy]carbonylbenzoic acid Formula: C20H22O4 MolecularWeight: 326.38628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(CC)OC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC[C@@H](C(CC)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H22O4/c1-3-15(14-10-6-5-7-11-14)18(4-2)24-20(23)17-13-9-8-12-16(17)19(21)22/h5-13,15,18H,3-4H2,1-2H3,(H,21,22)/t15?,18-/m0/s1