(2S)-2-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumyl-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumyl-2-phenyl-ethanoate Openeye Name: (2S)-2-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]ammonio-2-phenyl-acetate CAS Name: (2S)-2-[[2-(4-methoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azaniumyl-2-phenylacetate Traditional Name: (2S)-2-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]ammonio-2-phenyl-acetate Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=[NH+]C(C3=CC=CC=C3)C(=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=[NH+][C@@H](C3=CC=CC=C3)C(=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H21NO4/c1-16-8-13-22-20(14-16)21(26-24(25(27)28)18-6-4-3-5-7-18)15-23(30-22)17-9-11-19(29-2)12-10-17/h3-15,24H,1-2H3,(H,27,28)/t24-/m0/s1