4-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumylbutanoate

Systemtic Name: 4-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumylbutanoate Openeye Name: 4-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]ammoniobutanoate CAS Name: 4-[[2-(4-methoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]ammonio]butanoate IUPAC Name: 4-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azaniumylbutanoate Traditional Name: 4-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]ammoniobutyrate Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-14-5-10-19-17(12-14)18(22-11-3-4-21(23)24)13-20(26-19)15-6-8-16(25-2)9-7-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)