2-[4-azanyl-2-(2-methylbutyl)phenyl]-3-decoxy-3-phenyl-cyclopropene-1-carboxylic acid

Systemtic Name: 2-[4-azanyl-2-(2-methylbutyl)phenyl]-3-decoxy-3-phenyl-cyclopropene-1-carboxylic acid Openeye Name: 2-[4-amino-2-(2-methylbutyl)phenyl]-3-decoxy-3-phenyl-cyclopropene-1-carboxylic acid CAS Name: 2-[4-amino-2-(2-methylbutyl)phenyl]-3-decoxy-3-phenyl-1-cyclopropenecarboxylic acid IUPAC Name: 2-[4-amino-2-(2-methylbutyl)phenyl]-3-decoxy-3-phenylcyclopropene-1-carboxylic acid Traditional Name: 2-[4-amino-2-(2-methylbutyl)phenyl]-3-decoxy-3-phenyl-cyclopropene-1-carboxylic acid Formula: C31H43NO3 MolecularWeight: 477.67802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1(C(=C1C(=O)O)C2=C(C=C(C=C2)N)CC(C)CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCOC1(C(=C1C(=O)O)C2=C(C=C(C=C2)N)CC(C)CC)C3=CC=CC=C3

InChI

InChI=1S/C31H43NO3/c1-4-6-7-8-9-10-11-15-20-35-31(25-16-13-12-14-17-25)28(29(31)30(33)34)27-19-18-26(32)22-24(27)21-23(3)5-2/h12-14,16-19,22-23H,4-11,15,20-21,32H2,1-3H3,(H,33,34)