methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-5-isocyanato-1H-indole-2-carboxylate

Systemtic Name: methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-5-isocyanato-1H-indole-2-carboxylate Openeye Name: methyl 7-(3-acetoxypropoxy)-4-[(2S)-2,3-dibenzyloxypropyl]-5-isocyanato-1H-indole-2-carboxylate CAS Name: 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-5-isocyanato-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-5-isocyanato-1H-indole-2-carboxylate Traditional Name: 7-(3-acetoxypropoxy)-4-[(2S)-2,3-dibenzoxypropyl]-5-isocyanato-1H-indole-2-carboxylic acid methyl ester Formula: C33H34N2O8 MolecularWeight: 586.63166

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H34N2O8/c1-23(37)41-14-9-15-42-31-18-29(34-22-36)27(28-17-30(33(38)39-2)35-32(28)31)16-26(43-20-25-12-7-4-8-13-25)21-40-19-24-10-5-3-6-11-24/h3-8,10-13,17-18,26,35H,9,14-16,19-21H2,1-2H3/t26-/m0/s1