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

Systemtic Name: (2S)-2-[6-methyl-2-(4-propan-2-ylphenyl)chromen-4-ylidene]azaniumyl-2-phenyl-ethanoate Openeye Name: (2S)-2-[2-(4-isopropylphenyl)-6-methyl-chromen-4-ylidene]ammonio-2-phenyl-acetate CAS Name: (2S)-2-[[6-methyl-2-(4-propan-2-ylphenyl)-1-benzopyran-4-ylidene]ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[6-methyl-2-(4-propan-2-ylphenyl)chromen-4-ylidene]azaniumyl-2-phenylacetate Traditional Name: (2S)-2-(6-methyl-2-p-cumenyl-chromen-4-ylidene)ammonio-2-phenyl-acetate Formula: C27H25NO3 MolecularWeight: 411.4923

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO3/c1-17(2)19-10-12-20(13-11-19)25-16-23(22-15-18(3)9-14-24(22)31-25)28-26(27(29)30)21-7-5-4-6-8-21/h4-17,26H,1-3H3,(H,29,30)/t26-/m0/s1