(3-chloranyl-4-ethoxy-phenyl)-[(2S)-1-[3-(diethylazaniumyl)propyl]-2-(4-methoxyphenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (3-chloranyl-4-ethoxy-phenyl)-[(2S)-1-[3-(diethylazaniumyl)propyl]-2-(4-methoxyphenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate Openeye Name: (3-chloro-4-ethoxy-phenyl)-[(2S)-1-[3-(diethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (3-chloro-4-ethoxyphenyl)-[(2S)-1-[3-(diethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxo-3-pyrrolidinylidene]methanolate IUPAC Name: (3-chloro-4-ethoxyphenyl)-[(2S)-1-[3-(diethylazaniumyl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate Traditional Name: (3-chloro-4-ethoxy-phenyl)-[(2S)-1-[3-(diethylammonio)propyl]-4,5-diketo-2-(4-methoxyphenyl)pyrrolidin-3-ylidene]methanolate Formula: C27H33ClN2O5 MolecularWeight: 501.01432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33ClN2O5/c1-5-29(6-2)15-8-16-30-24(18-9-12-20(34-4)13-10-18)23(26(32)27(30)33)25(31)19-11-14-22(35-7-3)21(28)17-19/h9-14,17,24,31H,5-8,15-16H2,1-4H3/t24-/m0/s1