(phenylmethyl) 3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-methyl-indole-5-carboxylate

Systemtic Name: (phenylmethyl) 3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-methyl-indole-5-carboxylate Openeye Name: benzyl 3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-methyl-indole-5-carboxylate CAS Name: 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-methyl-5-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-methylindole-5-carboxylate Traditional Name: 3-(4-carbomethoxy-2-methoxy-benzyl)-1-methyl-indole-5-carboxylic acid benzyl ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)OCC3=CC=CC=C3)CC4=C(C=C(C=C4)C(=O)OC)OC

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)OCC3=CC=CC=C3)CC4=C(C=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C27H25NO5/c1-28-16-22(13-19-9-10-21(26(29)32-3)15-25(19)31-2)23-14-20(11-12-24(23)28)27(30)33-17-18-7-5-4-6-8-18/h4-12,14-16H,13,17H2,1-3H3