7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-2-methoxycarbonyl-1H-indole-5-carboxylic acid

Systemtic Name: 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-2-methoxycarbonyl-1H-indole-5-carboxylic acid Openeye Name: 7-(3-acetoxypropoxy)-4-[(2S)-2,3-dibenzyloxypropyl]-2-methoxycarbonyl-1H-indole-5-carboxylic acid CAS Name: 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-2-methoxycarbonyl-1H-indole-5-carboxylic acid IUPAC Name: 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-2-methoxycarbonyl-1H-indole-5-carboxylic acid Traditional Name: 7-(3-acetoxypropoxy)-2-carbomethoxy-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-5-carboxylic acid Formula: C33H35NO9 MolecularWeight: 589.6323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC1=C2C(=C(C(=C1)C(=O)O)CC(COCC3=CC=CC=C3)OCC4=CC=CC=C4)C=C(N2)C(=O)OC

Isomeric SMILES

CC(=O)OCCCOC1=C2C(=C(C(=C1)C(=O)O)C[C@@H](COCC3=CC=CC=C3)OCC4=CC=CC=C4)C=C(N2)C(=O)OC

InChI

InChI=1S/C33H35NO9/c1-22(35)41-14-9-15-42-30-18-28(32(36)37)26(27-17-29(33(38)39-2)34-31(27)30)16-25(43-20-24-12-7-4-8-13-24)21-40-19-23-10-5-3-6-11-23/h3-8,10-13,17-18,25,34H,9,14-16,19-21H2,1-2H3,(H,36,37)/t25-/m0/s1