2-[[4-methanoyl-5-(3-methylbutyl)-2-oxidanylidene-3-pentyl-imidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[4-methanoyl-5-(3-methylbutyl)-2-oxidanylidene-3-pentyl-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(4-formyl-5-isopentyl-2-oxo-3-pentyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[[4-formyl-5-(3-methylbutyl)-2-oxo-3-pentyl-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[4-formyl-5-(3-methylbutyl)-2-oxo-3-pentylimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-amyl-4-formyl-5-isoamyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C)C=O

Isomeric SMILES

CCCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C)C=O

InChI

InChI=1S/C28H34N2O4/c1-4-5-9-17-29-25(19-31)24(16-15-20(2)3)30(28(29)34)18-22-13-10-14-23(26(22)27(32)33)21-11-7-6-8-12-21/h6-8,10-14,19-20H,4-5,9,15-18H2,1-3H3,(H,32,33)