methyl 7-(3-acetyloxypropoxy)-5-(methoxycarbonylamino)-4-[(2S)-3-oxidanyl-2-phenylmethoxy-propyl]-1H-indole-2-carboxylate

Systemtic Name: methyl 7-(3-acetyloxypropoxy)-5-(methoxycarbonylamino)-4-[(2S)-3-oxidanyl-2-phenylmethoxy-propyl]-1H-indole-2-carboxylate Openeye Name: methyl 7-(3-acetoxypropoxy)-4-[(2S)-2-benzyloxy-3-hydroxy-propyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate CAS Name: 7-(3-acetyloxypropoxy)-4-[(2S)-3-hydroxy-2-phenylmethoxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 7-(3-acetyloxypropoxy)-4-[(2S)-3-hydroxy-2-phenylmethoxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate Traditional Name: 7-(3-acetoxypropoxy)-4-[(2S)-2-benzoxy-3-hydroxy-propyl]-5-(carbomethoxyamino)-1H-indole-2-carboxylic acid methyl ester Formula: C27H32N2O9 MolecularWeight: 528.55098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC1=C2C(=C(C(=C1)NC(=O)OC)CC(CO)OCC3=CC=CC=C3)C=C(N2)C(=O)OC

Isomeric SMILES

CC(=O)OCCCOC1=C2C(=C(C(=C1)NC(=O)OC)C[C@@H](CO)OCC3=CC=CC=C3)C=C(N2)C(=O)OC

InChI

InChI=1S/C27H32N2O9/c1-17(31)36-10-7-11-37-24-14-22(29-27(33)35-3)20(21-13-23(26(32)34-2)28-25(21)24)12-19(15-30)38-16-18-8-5-4-6-9-18/h4-6,8-9,13-14,19,28,30H,7,10-12,15-16H2,1-3H3,(H,29,33)/t19-/m0/s1