(2S)-2-[2-oxidanylidene-2-[4-(4-pentoxyphenyl)phenyl]ethyl]-5-phenyl-pentanoic acid

Systemtic Name: (2S)-2-[2-oxidanylidene-2-[4-(4-pentoxyphenyl)phenyl]ethyl]-5-phenyl-pentanoic acid Openeye Name: (2S)-2-[2-oxo-2-[4-(4-pentoxyphenyl)phenyl]ethyl]-5-phenyl-pentanoic acid CAS Name: (2S)-2-[2-oxo-2-[4-(4-pentoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid IUPAC Name: (2S)-2-[2-oxo-2-[4-(4-pentoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid Traditional Name: (2S)-2-[2-[4-(4-amoxyphenyl)phenyl]-2-keto-ethyl]-5-phenyl-valeric acid Formula: C30H34O4 MolecularWeight: 458.58856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(CCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[C@H](CCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C30H34O4/c1-2-3-7-21-34-28-19-17-25(18-20-28)24-13-15-26(16-14-24)29(31)22-27(30(32)33)12-8-11-23-9-5-4-6-10-23/h4-6,9-10,13-20,27H,2-3,7-8,11-12,21-22H2,1H3,(H,32,33)/t27-/m0/s1