diethyl 3-methylidene-4-[2-(phenylmethyl)-4,5,6,7-tetrahydroisoindol-1-yl]cyclopentane-1,1-dicarboxylate

Systemtic Name: diethyl 3-methylidene-4-[2-(phenylmethyl)-4,5,6,7-tetrahydroisoindol-1-yl]cyclopentane-1,1-dicarboxylate Openeye Name: diethyl 3-(2-benzyl-4,5,6,7-tetrahydroisoindol-1-yl)-4-methylene-cyclopentane-1,1-dicarboxylate CAS Name: 3-methylene-4-[2-(phenylmethyl)-4,5,6,7-tetrahydroisoindol-1-yl]cyclopentane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(2-benzyl-4,5,6,7-tetrahydroisoindol-1-yl)-4-methylidenecyclopentane-1,1-dicarboxylate Traditional Name: 3-(2-benzyl-4,5,6,7-tetrahydroisoindol-1-yl)-4-methylene-cyclopentane-1,1-dicarboxylic acid diethyl ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(C(=C)C1)C2=C3CCCCC3=CN2CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC(C(=C)C1)C2=C3CCCCC3=CN2CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H33NO4/c1-4-31-25(29)27(26(30)32-5-2)15-19(3)23(16-27)24-22-14-10-9-13-21(22)18-28(24)17-20-11-7-6-8-12-20/h6-8,11-12,18,23H,3-5,9-10,13-17H2,1-2H3