[(E)-4-[3-[(4-methanoylphenyl)amino]-5-oxidanylidene-oxolan-2-yl]but-3-en-2-yl] (2R)-2-phenylbutanoate

Systemtic Name: [(E)-4-[3-[(4-methanoylphenyl)amino]-5-oxidanylidene-oxolan-2-yl]but-3-en-2-yl] (2R)-2-phenylbutanoate Openeye Name: [(E)-3-[3-(4-formylanilino)-5-oxo-tetrahydrofuran-2-yl]-1-methyl-allyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [(E)-4-[3-(4-formylanilino)-5-oxo-2-oxolanyl]but-3-en-2-yl] ester IUPAC Name: [(E)-4-[3-(4-formylanilino)-5-oxooxolan-2-yl]but-3-en-2-yl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [(E)-3-[3-(4-formylanilino)-5-keto-tetrahydrofuran-2-yl]-1-methyl-allyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC(C)C=CC2C(CC(=O)O2)NC3=CC=C(C=C3)C=O

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OC(C)/C=C/C2C(CC(=O)O2)NC3=CC=C(C=C3)C=O

InChI

InChI=1S/C25H27NO5/c1-3-21(19-7-5-4-6-8-19)25(29)30-17(2)9-14-23-22(15-24(28)31-23)26-20-12-10-18(16-27)11-13-20/h4-14,16-17,21-23,26H,3,15H2,1-2H3/b14-9+/t17?,21-,22?,23?/m1/s1