2-(4-aminophenyl)-3-(4-butylphenoxy)cyclopropene-1-carboxylate

Systemtic Name: 2-(4-aminophenyl)-3-(4-butylphenoxy)cyclopropene-1-carboxylate Openeye Name: 2-(4-aminophenyl)-3-(4-butylphenoxy)cyclopropene-1-carboxylate CAS Name: 2-(4-aminophenyl)-3-(4-butylphenoxy)-1-cyclopropenecarboxylate IUPAC Name: 2-(4-aminophenyl)-3-(4-butylphenoxy)cyclopropene-1-carboxylate Traditional Name: 2-(4-aminophenyl)-3-(4-butylphenoxy)cyclopropene-1-carboxylate Formula: C20H20NO3- MolecularWeight: 322.3777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC2C(=C2C(=O)[O-])C3=CC=C(C=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC2C(=C2C(=O)[O-])C3=CC=C(C=C3)N

InChI

InChI=1S/C20H21NO3/c1-2-3-4-13-5-11-16(12-6-13)24-19-17(18(19)20(22)23)14-7-9-15(21)10-8-14/h5-12,19H,2-4,21H2,1H3,(H,22,23)/p-1