[(E,2R)-4-(1-oxidanylideneisochromen-3-yl)but-3-en-2-yl] (2S)-2-phenylbutanoate

Systemtic Name: [(E,2R)-4-(1-oxidanylideneisochromen-3-yl)but-3-en-2-yl] (2S)-2-phenylbutanoate Openeye Name: [(E,1R)-1-methyl-3-(1-oxoisochromen-3-yl)allyl] (2S)-2-phenylbutanoate CAS Name: (2S)-2-phenylbutanoic acid [(E,2R)-4-(1-oxo-2-benzopyran-3-yl)but-3-en-2-yl] ester IUPAC Name: [(E,2R)-4-(1-oxoisochromen-3-yl)but-3-en-2-yl] (2S)-2-phenylbutanoate Traditional Name: (2S)-2-phenylbutyric acid [(E,1R)-3-(1-ketoisochromen-3-yl)-1-methyl-allyl] ester Formula: C23H22O4 MolecularWeight: 362.41838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC(C)C=CC2=CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)O[C@H](C)/C=C/C2=CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C23H22O4/c1-3-20(17-9-5-4-6-10-17)22(24)26-16(2)13-14-19-15-18-11-7-8-12-21(18)23(25)27-19/h4-16,20H,3H2,1-2H3/b14-13+/t16-,20+/m1/s1