tert-butyl (4R,6R)-6-ethyl-2-[3-(2-oxidanylideneethyl)-1H-indol-2-yl]-4-(phenylmethoxymethyl)azepane-1-carboxylate

Systemtic Name: tert-butyl (4R,6R)-6-ethyl-2-[3-(2-oxidanylideneethyl)-1H-indol-2-yl]-4-(phenylmethoxymethyl)azepane-1-carboxylate Openeye Name: tert-butyl (4R,6R)-4-(benzyloxymethyl)-6-ethyl-2-[3-(2-oxoethyl)-1H-indol-2-yl]azepane-1-carboxylate CAS Name: (4R,6R)-6-ethyl-2-[3-(2-oxoethyl)-1H-indol-2-yl]-4-(phenylmethoxymethyl)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R,6R)-6-ethyl-2-[3-(2-oxoethyl)-1H-indol-2-yl]-4-(phenylmethoxymethyl)azepane-1-carboxylate Traditional Name: (4R,6R)-4-(benzoxymethyl)-6-ethyl-2-[3-(2-ketoethyl)-1H-indol-2-yl]azepane-1-carboxylic acid tert-butyl ester Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CC(N(C1)C(=O)OC(C)(C)C)C2=C(C3=CC=CC=C3N2)CC=O)COCC4=CC=CC=C4

Isomeric SMILES

CC[C@@H]1C[C@H](CC(N(C1)C(=O)OC(C)(C)C)C2=C(C3=CC=CC=C3N2)CC=O)COCC4=CC=CC=C4

InChI

InChI=1S/C31H40N2O4/c1-5-22-17-24(21-36-20-23-11-7-6-8-12-23)18-28(33(19-22)30(35)37-31(2,3)4)29-26(15-16-34)25-13-9-10-14-27(25)32-29/h6-14,16,22,24,28,32H,5,15,17-21H2,1-4H3/t22-,24-,28?/m1/s1