4-[[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]oxy]benzoic acid

Systemtic Name: 4-[[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]oxy]benzoic acid Openeye Name: 4-[[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]benzoic acid CAS Name: 4-[[2-[(3S)-1-cyclobutyl-3-pyrrolidinyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]benzoic acid IUPAC Name: 4-[[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]benzoic acid Traditional Name: 4-[[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-keto-3,4-dihydroisoquinolin-6-yl]oxy]benzoic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC(C2)N3CCC4=C(C3=O)C=CC(=C4)OC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CC(C1)N2CC[C@@H](C2)N3CCC4=C(C3=O)C=CC(=C4)OC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C24H26N2O4/c27-23-22-9-8-21(30-20-6-4-16(5-7-20)24(28)29)14-17(22)10-13-26(23)19-11-12-25(15-19)18-2-1-3-18/h4-9,14,18-19H,1-3,10-13,15H2,(H,28,29)/t19-/m0/s1