O1-methyl O5-(phenylmethyl) (2E,4R)-2-butylidene-4-[(4-phenylphenyl)methyl]pentanedioate

Systemtic Name: O1-methyl O5-(phenylmethyl) (2E,4R)-2-butylidene-4-[(4-phenylphenyl)methyl]pentanedioate Openeye Name: O1-benzyl O5-methyl (2R,4E)-4-butylidene-2-[(4-phenylphenyl)methyl]pentanedioate CAS Name: (2E,4R)-2-butylidene-4-[(4-phenylphenyl)methyl]pentanedioic acid O1-methyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-methyl (2E,4R)-2-butylidene-4-[(4-phenylphenyl)methyl]pentanedioate Traditional Name: (2R,4E)-4-butylidene-2-(4-phenylbenzyl)glutaric acid O1-benzyl ester O5-methyl ester Formula: C30H32O4 MolecularWeight: 456.57268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(CC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC/C=C(\C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C30H32O4/c1-3-4-13-27(29(31)33-2)21-28(30(32)34-22-24-11-7-5-8-12-24)20-23-16-18-26(19-17-23)25-14-9-6-10-15-25/h5-19,28H,3-4,20-22H2,1-2H3/b27-13+/t28-/m1/s1