O3-ethyl O2-(phenylmethyl) (3S,3aS,6aS)-6-(3-methyl-4-pentoxy-phenyl)-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate

Systemtic Name: O3-ethyl O2-(phenylmethyl) (3S,3aS,6aS)-6-(3-methyl-4-pentoxy-phenyl)-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate Openeye Name: O2-benzyl O3-ethyl (3S,3aS,6aS)-6-(3-methyl-4-pentoxy-phenyl)-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate CAS Name: (3S,3aS,6aS)-6-(3-methyl-4-pentoxyphenyl)-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylic acid O3-ethyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 3-O-ethyl (3S,3aS,6aS)-6-(3-methyl-4-pentoxyphenyl)-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate Traditional Name: (3S,3aS,6aS)-6-(4-amoxy-3-methyl-phenyl)-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylic acid O2-benzyl ester O3-ethyl ester Formula: C30H37NO5 MolecularWeight: 491.61848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=CCC3C2CN(C3C(=O)OCC)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=CC[C@H]3[C@@H]2CN([C@@H]3C(=O)OCC)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C30H37NO5/c1-4-6-10-17-35-27-16-13-23(18-21(27)3)24-14-15-25-26(24)19-31(28(25)29(32)34-5-2)30(33)36-20-22-11-8-7-9-12-22/h7-9,11-14,16,18,25-26,28H,4-6,10,15,17,19-20H2,1-3H3/t25-,26+,28-/m0/s1