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

Systemtic Name: (1R)-1-[[(1S,6S)-6-(phenylcarbonyloxymethyl)cyclohex-3-en-1-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid Openeye Name: (1R)-1-[[(1S,6S)-6-(benzoyloxymethyl)cyclohex-3-en-1-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid CAS Name: (1R)-1-[[(1S,6S)-6-(benzoyloxymethyl)-1-cyclohex-3-enyl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid IUPAC Name: (1R)-1-[[(1S,6S)-6-(benzoyloxymethyl)cyclohex-3-en-1-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid Traditional Name: (1R)-1-[[(1S,6S)-6-(benzoyloxymethyl)cyclohex-3-en-1-yl]methyl]-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C3=CC=CC=C3N2)CC4CC=CCC4COC(=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN([C@@H](C2=C1C3=CC=CC=C3N2)C[C@@H]4CC=CC[C@@H]4COC(=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H28N2O4/c30-26(18-8-2-1-3-9-18)33-17-20-11-5-4-10-19(20)16-24-25-22(14-15-29(24)27(31)32)21-12-6-7-13-23(21)28-25/h1-9,12-13,19-20,24,28H,10-11,14-17H2,(H,31,32)/t19-,20+,24+/m0/s1