(phenylmethyl) (E)-4-[(3S)-1-(2-methoxy-2-oxidanylidene-ethanoyl)pyrrolidin-3-yl]-2-(phenylmethyl)but-3-enoate

Systemtic Name: (phenylmethyl) (E)-4-[(3S)-1-(2-methoxy-2-oxidanylidene-ethanoyl)pyrrolidin-3-yl]-2-(phenylmethyl)but-3-enoate Openeye Name: benzyl (E)-2-benzyl-4-[(3S)-1-(2-methoxy-2-oxo-acetyl)pyrrolidin-3-yl]but-3-enoate CAS Name: (E)-4-[(3S)-1-(2-methoxy-1,2-dioxoethyl)-3-pyrrolidinyl]-2-(phenylmethyl)-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-2-benzyl-4-[(3S)-1-(2-methoxy-2-oxoacetyl)pyrrolidin-3-yl]but-3-enoate Traditional Name: (E)-2-benzyl-4-[(3S)-1-methoxalylpyrrolidin-3-yl]but-3-enoic acid benzyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)N1CCC(C1)C=CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(=O)N1CC[C@H](C1)/C=C/C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO5/c1-30-25(29)23(27)26-15-14-20(17-26)12-13-22(16-19-8-4-2-5-9-19)24(28)31-18-21-10-6-3-7-11-21/h2-13,20,22H,14-18H2,1H3/b13-12+/t20-,22?/m1/s1