methyl (1S)-1-[[(1S,6S)-6-(phenylcarbonyloxymethyl)cyclohex-3-en-1-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Systemtic Name: methyl (1S)-1-[[(1S,6S)-6-(phenylcarbonyloxymethyl)cyclohex-3-en-1-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Openeye Name: methyl (1S)-1-[[(1S,6S)-6-(benzoyloxymethyl)cyclohex-3-en-1-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate CAS Name: (1S)-1-[[(1S,6S)-6-(benzoyloxymethyl)-1-cyclohex-3-enyl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid methyl ester IUPAC Name: methyl (1S)-1-[[(1S,6S)-6-(benzoyloxymethyl)cyclohex-3-en-1-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Traditional Name: (1S)-1-[[(1S,6S)-6-(benzoyloxymethyl)cyclohex-3-en-1-yl]methyl]-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid methyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2=C(C1CC3CC=CCC3COC(=O)C4=CC=CC=C4)NC5=CC=CC=C25

Isomeric SMILES

COC(=O)N1CCC2=C([C@@H]1C[C@@H]3CC=CC[C@@H]3COC(=O)C4=CC=CC=C4)NC5=CC=CC=C25

InChI

InChI=1S/C28H30N2O4/c1-33-28(32)30-16-15-23-22-13-7-8-14-24(22)29-26(23)25(30)17-20-11-5-6-12-21(20)18-34-27(31)19-9-3-2-4-10-19/h2-10,13-14,20-21,25,29H,11-12,15-18H2,1H3/t20-,21+,25-/m0/s1