2-[4-azanyl-2-(2-chloranylpropyl)phenyl]-3-hexoxy-3-phenyl-cyclopropene-1-carboxylic acid

Systemtic Name: 2-[4-azanyl-2-(2-chloranylpropyl)phenyl]-3-hexoxy-3-phenyl-cyclopropene-1-carboxylic acid Openeye Name: 2-[4-amino-2-(2-chloropropyl)phenyl]-3-hexoxy-3-phenyl-cyclopropene-1-carboxylic acid CAS Name: 2-[4-amino-2-(2-chloropropyl)phenyl]-3-hexoxy-3-phenyl-1-cyclopropenecarboxylic acid IUPAC Name: 2-[4-amino-2-(2-chloropropyl)phenyl]-3-hexoxy-3-phenylcyclopropene-1-carboxylic acid Traditional Name: 2-[4-amino-2-(2-chloropropyl)phenyl]-3-hexoxy-3-phenyl-cyclopropene-1-carboxylic acid Formula: C25H30ClNO3 MolecularWeight: 427.9636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1(C(=C1C(=O)O)C2=C(C=C(C=C2)N)CC(C)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1(C(=C1C(=O)O)C2=C(C=C(C=C2)N)CC(C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C25H30ClNO3/c1-3-4-5-9-14-30-25(19-10-7-6-8-11-19)22(23(25)24(28)29)21-13-12-20(27)16-18(21)15-17(2)26/h6-8,10-13,16-17H,3-5,9,14-15,27H2,1-2H3,(H,28,29)