4-(7-methyl-2-phenyl-chromen-4-ylidene)azaniumylbutanoate

Systemtic Name: 4-(7-methyl-2-phenyl-chromen-4-ylidene)azaniumylbutanoate Openeye Name: 4-(7-methyl-2-phenyl-chromen-4-ylidene)ammoniobutanoate CAS Name: 4-[(7-methyl-2-phenyl-1-benzopyran-4-ylidene)ammonio]butanoate IUPAC Name: 4-(7-methyl-2-phenylchromen-4-ylidene)azaniumylbutanoate Traditional Name: 4-(7-methyl-2-phenyl-chromen-4-ylidene)ammoniobutyrate Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=[NH+]CCCC(=O)[O-])C=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=[NH+]CCCC(=O)[O-])C=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3/c1-14-9-10-16-17(21-11-5-8-20(22)23)13-18(24-19(16)12-14)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,22,23)