methyl (1R,3R,4S,5R)-3-ethyl-4-oxidanyl-5-[3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indol-2-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,3R,4S,5R)-3-ethyl-4-oxidanyl-5-[3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indol-2-yl]cyclohexane-1-carboxylate Openeye Name: methyl (1R,3R,4S,5R)-3-[3-[2-(benzyloxycarbonylamino)ethyl]-1H-indol-2-yl]-5-ethyl-4-hydroxy-cyclohexanecarboxylate CAS Name: (1R,3R,4S,5R)-3-ethyl-4-hydroxy-5-[3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indol-2-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3R,4S,5R)-3-ethyl-4-hydroxy-5-[3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indol-2-yl]cyclohexane-1-carboxylate Traditional Name: (1R,3R,4S,5R)-3-[3-[2-(benzyloxycarbonylamino)ethyl]-1H-indol-2-yl]-5-ethyl-4-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CC(C1O)C2=C(C3=CC=CC=C3N2)CCNC(=O)OCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC[C@@H]1C[C@H](C[C@@H]([C@H]1O)C2=C(C3=CC=CC=C3N2)CCNC(=O)OCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C28H34N2O5/c1-3-19-15-20(27(32)34-2)16-23(26(19)31)25-22(21-11-7-8-12-24(21)30-25)13-14-29-28(33)35-17-18-9-5-4-6-10-18/h4-12,19-20,23,26,30-31H,3,13-17H2,1-2H3,(H,29,33)/t19-,20-,23-,26+/m1/s1