(E)-[2-(4-tert-butylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(2-methyl-4-phenylmethoxy-phenyl)methanolate

Systemtic Name: (E)-[2-(4-tert-butylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(2-methyl-4-phenylmethoxy-phenyl)methanolate Openeye Name: (E)-(4-benzyloxy-2-methyl-phenyl)-[2-(4-tert-butylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-[2-(4-tert-butylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-(2-methyl-4-phenylmethoxyphenyl)methanolate IUPAC Name: (E)-[2-(4-tert-butylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-4-phenylmethoxyphenyl)methanolate Traditional Name: (E)-(4-benzoxy-2-methyl-phenyl)-[2-(4-tert-butylphenyl)-4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]methanolate Formula: C35H40N2O5 MolecularWeight: 568.7025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC[NH+]4CCOCC4)C5=CC=C(C=C5)C(C)(C)C)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CC[NH+]4CCOCC4)C5=CC=C(C=C5)C(C)(C)C)/[O-]

InChI

InChI=1S/C35H40N2O5/c1-24-22-28(42-23-25-8-6-5-7-9-25)14-15-29(24)32(38)30-31(26-10-12-27(13-11-26)35(2,3)4)37(34(40)33(30)39)17-16-36-18-20-41-21-19-36/h5-15,22,31,38H,16-21,23H2,1-4H3/b32-30+