2-(1H-indol-3-ylmethyl)-3-methoxy-5-phenylmethoxycarbonyl-benzoic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-5-phenylmethoxycarbonyl-benzoic acid Openeye Name: 5-benzyloxycarbonyl-2-(1H-indol-3-ylmethyl)-3-methoxy-benzoic acid CAS Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-5-phenylmethoxycarbonylbenzoic acid IUPAC Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-5-phenylmethoxycarbonylbenzoic acid Traditional Name: 5-carbobenzoxy-2-(1H-indol-3-ylmethyl)-3-methoxy-benzoic acid Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO5/c1-30-23-13-17(25(29)31-15-16-7-3-2-4-8-16)11-21(24(27)28)20(23)12-18-14-26-22-10-6-5-9-19(18)22/h2-11,13-14,26H,12,15H2,1H3,(H,27,28)