2-(2-azanylbutanoyl)-5-phenylmethoxy-1-phenylmethoxycarbonyl-3H-indole-2-carboxylic acid

Systemtic Name: 2-(2-azanylbutanoyl)-5-phenylmethoxy-1-phenylmethoxycarbonyl-3H-indole-2-carboxylic acid Openeye Name: 2-(2-aminobutanoyl)-5-benzyloxy-1-benzyloxycarbonyl-indoline-2-carboxylic acid CAS Name: 2-(2-amino-1-oxobutyl)-5-phenylmethoxy-1-phenylmethoxycarbonyl-3H-indole-2-carboxylic acid IUPAC Name: 2-(2-aminobutanoyl)-5-phenylmethoxy-1-phenylmethoxycarbonyl-3H-indole-2-carboxylic acid Traditional Name: 2-(2-aminobutanoyl)-5-benzoxy-1-carbobenzoxy-indoline-2-carboxylic acid Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1(CC2=C(N1C(=O)OCC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4)C(=O)O)N

Isomeric SMILES

CCC(C(=O)C1(CC2=C(N1C(=O)OCC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4)C(=O)O)N

InChI

InChI=1S/C28H28N2O6/c1-2-23(29)25(31)28(26(32)33)16-21-15-22(35-17-19-9-5-3-6-10-19)13-14-24(21)30(28)27(34)36-18-20-11-7-4-8-12-20/h3-15,23H,2,16-18,29H2,1H3,(H,32,33)