methyl 2,3,6-trimethoxy-10-[[1-(phenylmethyl)pyrrol-2-yl]methyl]phenanthrene-9-carboxylate

Systemtic Name: methyl 2,3,6-trimethoxy-10-[[1-(phenylmethyl)pyrrol-2-yl]methyl]phenanthrene-9-carboxylate Openeye Name: methyl 10-[(1-benzylpyrrol-2-yl)methyl]-2,3,6-trimethoxy-phenanthrene-9-carboxylate CAS Name: 2,3,6-trimethoxy-10-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-9-phenanthrenecarboxylic acid methyl ester IUPAC Name: methyl 10-[(1-benzylpyrrol-2-yl)methyl]-2,3,6-trimethoxyphenanthrene-9-carboxylate Traditional Name: 10-[(1-benzylpyrrol-2-yl)methyl]-2,3,6-trimethoxy-phenanthrene-9-carboxylic acid methyl ester Formula: C31H29NO5 MolecularWeight: 495.56566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(C3=CC(=C(C=C32)OC)OC)CC4=CC=CN4CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(C3=CC(=C(C=C32)OC)OC)CC4=CC=CN4CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C31H29NO5/c1-34-22-12-13-23-24(16-22)25-17-28(35-2)29(36-3)18-26(25)27(30(23)31(33)37-4)15-21-11-8-14-32(21)19-20-9-6-5-7-10-20/h5-14,16-18H,15,19H2,1-4H3