3-(naphthalen-2-ylmethyl)-4,6-bis(oxidanylidene)-5-(3-phenylprop-2-enyl)-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(naphthalen-2-ylmethyl)-4,6-bis(oxidanylidene)-5-(3-phenylprop-2-enyl)-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-cinnamyl-3-(2-naphthylmethyl)-4,6-dioxo-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(2-naphthalenylmethyl)-4,6-dioxo-5-(3-phenylprop-2-enyl)-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(naphthalen-2-ylmethyl)-4,6-dioxo-5-(3-phenylprop-2-enyl)-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-cinnamyl-4,6-diketo-3-(2-naphthylmethyl)-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C36H34N2O5 MolecularWeight: 574.66556

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC=CC4=CC=CC=C4)C(N2)(CC5=CC6=CC=CC=C6C=C5)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC=CC4=CC=CC=C4)C(N2)(CC5=CC6=CC=CC=C6C=C5)C(=O)O

InChI

InChI=1S/C36H34N2O5/c1-2-21-43-29-18-16-27(17-19-29)32-30-31(34(40)38(33(30)39)20-8-11-24-9-4-3-5-10-24)36(37-32,35(41)42)23-25-14-15-26-12-6-7-13-28(26)22-25/h3-19,22,30-32,37H,2,20-21,23H2,1H3,(H,41,42)