2-[4-azanyl-2-(2-methylbutyl)phenyl]-3-(4-decoxyphenyl)cyclopropene-1-carboxylate

Systemtic Name: 2-[4-azanyl-2-(2-methylbutyl)phenyl]-3-(4-decoxyphenyl)cyclopropene-1-carboxylate Openeye Name: 2-[4-amino-2-(2-methylbutyl)phenyl]-3-(4-decoxyphenyl)cyclopropene-1-carboxylate CAS Name: 2-[4-amino-2-(2-methylbutyl)phenyl]-3-(4-decoxyphenyl)-1-cyclopropenecarboxylate IUPAC Name: 2-[4-amino-2-(2-methylbutyl)phenyl]-3-(4-decoxyphenyl)cyclopropene-1-carboxylate Traditional Name: 2-[4-amino-2-(2-methylbutyl)phenyl]-3-(4-decoxyphenyl)cyclopropene-1-carboxylate Formula: C31H42NO3- MolecularWeight: 476.67008

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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)CC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2C(=C2C(=O)[O-])C3=C(C=C(C=C3)N)CC(C)CC

InChI

InChI=1S/C31H43NO3/c1-4-6-7-8-9-10-11-12-19-35-26-16-13-23(14-17-26)28-29(30(28)31(33)34)27-18-15-25(32)21-24(27)20-22(3)5-2/h13-18,21-22,28H,4-12,19-20,32H2,1-3H3,(H,33,34)/p-1