1-[3-(diethylazaniumyl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(4-methoxycarbonylphenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 1-[3-(diethylazaniumyl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(4-methoxycarbonylphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 1-[3-(diethylammonio)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 1-[3-(diethylammonio)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 1-[3-(diethylazaniumyl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-carbomethoxyphenyl)-1-[3-(diethylammonio)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-3-olate Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C29H32N2O7/c1-5-30(6-2)15-8-16-31-24(18-11-13-19(14-12-18)29(35)37-4)23(26(33)28(31)34)25(32)22-17-20-9-7-10-21(36-3)27(20)38-22/h7,9-14,17,24,33H,5-6,8,15-16H2,1-4H3