methyl 2-methoxy-4-[5-oxidanylidene-1-(4-pentylphenyl)pyrrolidin-3-yl]benzoate

Systemtic Name: methyl 2-methoxy-4-[5-oxidanylidene-1-(4-pentylphenyl)pyrrolidin-3-yl]benzoate Openeye Name: methyl 2-methoxy-4-[5-oxo-1-(4-pentylphenyl)pyrrolidin-3-yl]benzoate CAS Name: 2-methoxy-4-[5-oxo-1-(4-pentylphenyl)-3-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-4-[5-oxo-1-(4-pentylphenyl)pyrrolidin-3-yl]benzoate Traditional Name: 4-[1-(4-amylphenyl)-5-keto-pyrrolidin-3-yl]-2-methoxy-benzoic acid methyl ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)N2CC(CC2=O)C3=CC(=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)N2CC(CC2=O)C3=CC(=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C24H29NO4/c1-4-5-6-7-17-8-11-20(12-9-17)25-16-19(15-23(25)26)18-10-13-21(24(27)29-3)22(14-18)28-2/h8-14,19H,4-7,15-16H2,1-3H3