methyl 4-[[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[(4-indan-5-yl-4-oxo-butanoyl)amino]methyl]benzoate CAS Name: 4-[[[4-(2,3-dihydro-1H-inden-5-yl)-1,4-dioxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]methyl]benzoate Traditional Name: 4-[[(4-indan-5-yl-4-keto-butanoyl)amino]methyl]benzoic acid methyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H23NO4/c1-27-22(26)17-7-5-15(6-8-17)14-23-21(25)12-11-20(24)19-10-9-16-3-2-4-18(16)13-19/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,25)