methyl (1S,5S)-3-ethyl-5-[3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indol-2-yl]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,5S)-3-ethyl-5-[3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indol-2-yl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,5S)-5-[3-[2-(benzyloxycarbonylamino)ethyl]-1H-indol-2-yl]-3-ethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,5S)-3-ethyl-5-[3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indol-2-yl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,5S)-3-ethyl-5-[3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indol-2-yl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,5S)-5-[3-[2-(benzyloxycarbonylamino)ethyl]-1H-indol-2-yl]-3-ethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(CC(C1)C(=O)OC)C2=C(C3=CC=CC=C3N2)CCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=C[C@H](C[C@@H](C1)C(=O)OC)C2=C(C3=CC=CC=C3N2)CCNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O4/c1-3-19-15-21(17-22(16-19)27(31)33-2)26-24(23-11-7-8-12-25(23)30-26)13-14-29-28(32)34-18-20-9-5-4-6-10-20/h4-12,15,21-22,30H,3,13-14,16-18H2,1-2H3,(H,29,32)/t21-,22-/m1/s1