dimethyl 2-(1-methoxycarbonyl-5-phenylmethoxy-indol-3-yl)propanedioate

Systemtic Name: dimethyl 2-(1-methoxycarbonyl-5-phenylmethoxy-indol-3-yl)propanedioate Openeye Name: dimethyl 2-(5-benzyloxy-1-methoxycarbonyl-indol-3-yl)propanedioate CAS Name: 2-(1-methoxycarbonyl-5-phenylmethoxy-3-indolyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1-methoxycarbonyl-5-phenylmethoxyindol-3-yl)propanedioate Traditional Name: 2-(5-benzoxy-1-carbomethoxy-indol-3-yl)malonic acid dimethyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CN(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=CN(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H21NO7/c1-27-20(24)19(21(25)28-2)17-12-23(22(26)29-3)18-10-9-15(11-16(17)18)30-13-14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3