2-(4-aminophenyl)-3-(4-methoxyphenyl)-3-(3-methylbutyl)cyclopropene-1-carboxylic acid

Systemtic Name: 2-(4-aminophenyl)-3-(4-methoxyphenyl)-3-(3-methylbutyl)cyclopropene-1-carboxylic acid Openeye Name: 2-(4-aminophenyl)-3-isopentyl-3-(4-methoxyphenyl)cyclopropene-1-carboxylic acid CAS Name: 2-(4-aminophenyl)-3-(4-methoxyphenyl)-3-(3-methylbutyl)-1-cyclopropenecarboxylic acid IUPAC Name: 2-(4-aminophenyl)-3-(4-methoxyphenyl)-3-(3-methylbutyl)cyclopropene-1-carboxylic acid Traditional Name: 2-(4-aminophenyl)-3-isoamyl-3-(4-methoxyphenyl)cyclopropene-1-carboxylic acid Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(C(=C1C(=O)O)C2=CC=C(C=C2)N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CCC1(C(=C1C(=O)O)C2=CC=C(C=C2)N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25NO3/c1-14(2)12-13-22(16-6-10-18(26-3)11-7-16)19(20(22)21(24)25)15-4-8-17(23)9-5-15/h4-11,14H,12-13,23H2,1-3H3,(H,24,25)