(E)-(3-methoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(3-methoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-[2-(4-isopropylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate CAS Name: (E)-(3-methoxyphenyl)-[1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(3-methoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-p-cumenyl-pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OC)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC)\[O-])/C(=O)C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C28H34N2O5/c1-19(2)20-8-10-21(11-9-20)25-24(26(31)22-6-4-7-23(18-22)34-3)27(32)28(33)30(25)13-5-12-29-14-16-35-17-15-29/h4,6-11,18-19,25,31H,5,12-17H2,1-3H3/b26-24+