(phenylmethyl) (2S)-2-[(3,6,7-trimethoxyphenanthren-9-yl)methyl]-2,5-dihydropyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(3,6,7-trimethoxyphenanthren-9-yl)methyl]-2,5-dihydropyrrole-1-carboxylate Openeye Name: benzyl (2S)-2-[(3,6,7-trimethoxy-9-phenanthryl)methyl]-2,5-dihydropyrrole-1-carboxylate CAS Name: (2S)-2-[(3,6,7-trimethoxy-9-phenanthrenyl)methyl]-2,5-dihydropyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(3,6,7-trimethoxyphenanthren-9-yl)methyl]-2,5-dihydropyrrole-1-carboxylate Traditional Name: (2S)-2-[(3,6,7-trimethoxy-9-phenanthryl)methyl]-3-pyrroline-1-carboxylic acid benzyl ester Formula: C30H29NO5 MolecularWeight: 483.55496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C3C=C(C(=CC3=C(C=C2C=C1)CC4C=CCN4C(=O)OCC5=CC=CC=C5)OC)OC

Isomeric SMILES

COC1=CC2=C3C=C(C(=CC3=C(C=C2C=C1)C[C@H]4C=CCN4C(=O)OCC5=CC=CC=C5)OC)OC

InChI

InChI=1S/C30H29NO5/c1-33-24-12-11-21-14-22(26-17-28(34-2)29(35-3)18-27(26)25(21)16-24)15-23-10-7-13-31(23)30(32)36-19-20-8-5-4-6-9-20/h4-12,14,16-18,23H,13,15,19H2,1-3H3/t23-/m1/s1