(phenylmethyl) (3aS)-4-methanoyl-5-oxidanylidene-6-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) (3aS)-4-methanoyl-5-oxidanylidene-6-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Openeye Name: benzyl (3aS)-6-allyl-4-formyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate CAS Name: (3aS)-4-formyl-5-oxo-6-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3aS)-4-formyl-5-oxo-6-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Traditional Name: (3aS)-6-allyl-4-formyl-5-keto-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C2C(CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C=O

Isomeric SMILES

C=CCC1C2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C=O

InChI

InChI=1S/C18H20N2O4/c1-2-6-14-16-15(20(12-21)17(14)22)9-10-19(16)18(23)24-11-13-7-4-3-5-8-13/h2-5,7-8,12,14-16H,1,6,9-11H2/t14?,15-,16?/m0/s1