[(2R)-1-[3-(diethylazaniumyl)propyl]-2-(4-methoxyphenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate

Systemtic Name: [(2R)-1-[3-(diethylazaniumyl)propyl]-2-(4-methoxyphenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate Openeye Name: [(2R)-1-[3-(diethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate CAS Name: [(2R)-1-[3-(diethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxo-3-pyrrolidinylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate IUPAC Name: [(2R)-1-[3-(diethylazaniumyl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate Traditional Name: (5-carbomethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-[(2R)-1-[3-(diethylammonio)propyl]-4,5-diketo-2-(4-methoxyphenyl)pyrrolidin-3-ylidene]methanolate Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)[O-])C(=O)C1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C2=C(NC(=C2C)C(=O)OC)C)[O-])C(=O)C1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H35N3O6/c1-7-29(8-2)14-9-15-30-23(18-10-12-19(35-5)13-11-18)21(25(32)26(30)33)24(31)20-16(3)22(27(34)36-6)28-17(20)4/h10-13,23,28,31H,7-9,14-15H2,1-6H3/t23-/m1/s1