(2R)-2-[2-(4-methoxyphenyl)-6,8-dimethyl-chromen-4-ylidene]azaniumyl-3-methyl-butanoate

Systemtic Name: (2R)-2-[2-(4-methoxyphenyl)-6,8-dimethyl-chromen-4-ylidene]azaniumyl-3-methyl-butanoate Openeye Name: (2R)-2-[2-(4-methoxyphenyl)-6,8-dimethyl-chromen-4-ylidene]ammonio-3-methyl-butanoate CAS Name: (2R)-2-[[2-(4-methoxyphenyl)-6,8-dimethyl-1-benzopyran-4-ylidene]ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[2-(4-methoxyphenyl)-6,8-dimethylchromen-4-ylidene]azaniumyl-3-methylbutanoate Traditional Name: (2R)-2-[2-(4-methoxyphenyl)-6,8-dimethyl-chromen-4-ylidene]ammonio-3-methyl-butyrate Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=[NH+]C(C(C)C)C(=O)[O-])C=C(O2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=[NH+][C@H](C(C)C)C(=O)[O-])C=C(O2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H25NO4/c1-13(2)21(23(25)26)24-19-12-20(16-6-8-17(27-5)9-7-16)28-22-15(4)10-14(3)11-18(19)22/h6-13,21H,1-5H3,(H,25,26)/t21-/m1/s1