methyl (3aR,4S,9aS,9bS)-4-[4-(4-ethanoylphenyl)-3-methoxy-phenyl]-2-ethyl-1,3-bis(oxidanylidene)-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate

Systemtic Name: methyl (3aR,4S,9aS,9bS)-4-[4-(4-ethanoylphenyl)-3-methoxy-phenyl]-2-ethyl-1,3-bis(oxidanylidene)-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate Openeye Name: methyl (3aR,4S,9aS,9bS)-4-[4-(4-acetylphenyl)-3-methoxy-phenyl]-2-ethyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate CAS Name: (3aR,4S,9aS,9bS)-4-[4-(4-acetylphenyl)-3-methoxyphenyl]-2-ethyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylic acid methyl ester IUPAC Name: methyl (3aR,4S,9aS,9bS)-4-[4-(4-acetylphenyl)-3-methoxyphenyl]-2-ethyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate Traditional Name: (3aR,4S,9aS,9bS)-4-[4-(4-acetylphenyl)-3-methoxy-phenyl]-2-ethyl-1,3-diketo-4,6,7,8,9,9b-hexahydro-3aH-pyrrol[3,4-a]indolizine-9a-carboxylic acid methyl ester Formula: C29H32N2O6 MolecularWeight: 504.57418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2C(C1=O)C3(CCCCN3C2C4=CC(=C(C=C4)C5=CC=C(C=C5)C(=O)C)OC)C(=O)OC

Isomeric SMILES

CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]3(CCCCN3[C@@H]2C4=CC(=C(C=C4)C5=CC=C(C=C5)C(=O)C)OC)C(=O)OC

InChI

InChI=1S/C29H32N2O6/c1-5-30-26(33)23-24(27(30)34)29(28(35)37-4)14-6-7-15-31(29)25(23)20-12-13-21(22(16-20)36-3)19-10-8-18(9-11-19)17(2)32/h8-13,16,23-25H,5-7,14-15H2,1-4H3/t23-,24-,25-,29+/m1/s1