2-(4-azanyl-2-butan-2-yl-phenyl)-3-(4-decoxyphenyl)cyclopropene-1-carboxylic acid

Systemtic Name: 2-(4-azanyl-2-butan-2-yl-phenyl)-3-(4-decoxyphenyl)cyclopropene-1-carboxylic acid Openeye Name: 2-(4-amino-2-sec-butyl-phenyl)-3-(4-decoxyphenyl)cyclopropene-1-carboxylic acid CAS Name: 2-(4-amino-2-butan-2-ylphenyl)-3-(4-decoxyphenyl)-1-cyclopropenecarboxylic acid IUPAC Name: 2-(4-amino-2-butan-2-ylphenyl)-3-(4-decoxyphenyl)cyclopropene-1-carboxylic acid Traditional Name: 2-(4-amino-2-sec-butyl-phenyl)-3-(4-decoxyphenyl)cyclopropene-1-carboxylic acid Formula: C30H41NO3 MolecularWeight: 463.65144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2C(=C2C(=O)O)C3=C(C=C(C=C3)N)C(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2C(=C2C(=O)O)C3=C(C=C(C=C3)N)C(C)CC

InChI

InChI=1S/C30H41NO3/c1-4-6-7-8-9-10-11-12-19-34-24-16-13-22(14-17-24)27-28(29(27)30(32)33)25-18-15-23(31)20-26(25)21(3)5-2/h13-18,20-21,27H,4-12,19,31H2,1-3H3,(H,32,33)