(2R)-2-[2-(4-methoxyphenyl)chromen-4-ylidene]azaniumyl-3-methyl-butanoate

Systemtic Name: (2R)-2-[2-(4-methoxyphenyl)chromen-4-ylidene]azaniumyl-3-methyl-butanoate Openeye Name: (2R)-2-[2-(4-methoxyphenyl)chromen-4-ylidene]ammonio-3-methyl-butanoate CAS Name: (2R)-2-[[2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[2-(4-methoxyphenyl)chromen-4-ylidene]azaniumyl-3-methylbutanoate Traditional Name: (2R)-2-[2-(4-methoxyphenyl)chromen-4-ylidene]ammonio-3-methyl-butyrate Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+]=C1C=C(OC2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])[NH+]=C1C=C(OC2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO4/c1-13(2)20(21(23)24)22-17-12-19(14-8-10-15(25-3)11-9-14)26-18-7-5-4-6-16(17)18/h4-13,20H,1-3H3,(H,23,24)/t20-/m1/s1