(2S)-2-(6,7-dimethyl-2-phenyl-chromen-4-ylidene)azaniumyl-3-methyl-butanoate

Systemtic Name: (2S)-2-(6,7-dimethyl-2-phenyl-chromen-4-ylidene)azaniumyl-3-methyl-butanoate Openeye Name: (2S)-2-(6,7-dimethyl-2-phenyl-chromen-4-ylidene)ammonio-3-methyl-butanoate CAS Name: (2S)-2-[(6,7-dimethyl-2-phenyl-1-benzopyran-4-ylidene)ammonio]-3-methylbutanoate IUPAC Name: (2S)-2-(6,7-dimethyl-2-phenylchromen-4-ylidene)azaniumyl-3-methylbutanoate Traditional Name: (2S)-2-(6,7-dimethyl-2-phenyl-chromen-4-ylidene)ammonio-3-methyl-butyrate Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-13(2)21(22(24)25)23-18-12-19(16-8-6-5-7-9-16)26-20-11-15(4)14(3)10-17(18)20/h5-13,21H,1-4H3,(H,24,25)/t21-/m0/s1