3-[[6-(2-cyanophenyl)naphthalen-2-yl]methyl-pentanoyl-amino]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[[6-(2-cyanophenyl)naphthalen-2-yl]methyl-pentanoyl-amino]-2,2-dimethyl-propanoic acid Openeye Name: 3-[[6-(2-cyanophenyl)-2-naphthyl]methyl-pentanoyl-amino]-2,2-dimethyl-propanoic acid CAS Name: 3-[[6-(2-cyanophenyl)-2-naphthalenyl]methyl-(1-oxopentyl)amino]-2,2-dimethylpropanoic acid IUPAC Name: 3-[[6-(2-cyanophenyl)naphthalen-2-yl]methyl-pentanoylamino]-2,2-dimethylpropanoic acid Traditional Name: 3-[[6-(2-cyanophenyl)-2-naphthyl]methyl-valeryl-amino]-2,2-dimethyl-propionic acid Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC2=C(C=C1)C=C(C=C2)C3=CC=CC=C3C#N)CC(C)(C)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC2=C(C=C1)C=C(C=C2)C3=CC=CC=C3C#N)CC(C)(C)C(=O)O

InChI

InChI=1S/C28H30N2O3/c1-4-5-10-26(31)30(19-28(2,3)27(32)33)18-20-11-12-22-16-23(14-13-21(22)15-20)25-9-7-6-8-24(25)17-29/h6-9,11-16H,4-5,10,18-19H2,1-3H3,(H,32,33)