1-[[7-[4-(4-chlorophenyl)butyl]-4-oxidanylidene-chromen-3-yl]methyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[[7-[4-(4-chlorophenyl)butyl]-4-oxidanylidene-chromen-3-yl]methyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[[7-[4-(4-chlorophenyl)butyl]-4-oxo-chromen-3-yl]methyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[[7-[4-(4-chlorophenyl)butyl]-4-oxo-1-benzopyran-3-yl]methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[[7-[4-(4-chlorophenyl)butyl]-4-oxochromen-3-yl]methyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[[7-[4-(4-chlorophenyl)butyl]-4-keto-chromen-3-yl]methyl]pyrrolidine-3-carboxylic acid Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C(=O)O)CC2=COC3=C(C2=O)C=CC(=C3)CCCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC1C(=O)O)CC2=COC3=C(C2=O)C=CC(=C3)CCCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClNO4/c26-21-8-5-17(6-9-21)3-1-2-4-18-7-10-22-23(13-18)31-16-20(24(22)28)15-27-12-11-19(14-27)25(29)30/h5-10,13,16,19H,1-4,11-12,14-15H2,(H,29,30)