methyl (3aS,4S,11bR)-4-[2-(phenylcarbonyloxymethyl)butyl]-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate

Systemtic Name: methyl (3aS,4S,11bR)-4-[2-(phenylcarbonyloxymethyl)butyl]-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate Openeye Name: methyl (3aS,4S,11bR)-4-[2-(benzoyloxymethyl)butyl]-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate CAS Name: (3aS,4S,11bR)-4-[2-(benzoyloxymethyl)butyl]-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylic acid methyl ester IUPAC Name: methyl (3aS,4S,11bR)-4-[2-(benzoyloxymethyl)butyl]-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate Traditional Name: (3aS,4S,11bR)-4-[2-(benzoyloxymethyl)butyl]-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylic acid methyl ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CC(=C2C3(C1NCC3)C4=CC=CC=C4N2)C(=O)OC)COC(=O)C5=CC=CC=C5

Isomeric SMILES

CCC(C[C@H]1CC(=C2[C@@]3([C@H]1NCC3)C4=CC=CC=C4N2)C(=O)OC)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H32N2O4/c1-3-18(17-34-26(31)19-9-5-4-6-10-19)15-20-16-21(27(32)33-2)25-28(13-14-29-24(20)28)22-11-7-8-12-23(22)30-25/h4-12,18,20,24,29-30H,3,13-17H2,1-2H3/t18?,20-,24-,28+/m0/s1