2-chloranyl-4-[1-methoxy-2-oxidanylidene-2-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzoic acid

Systemtic Name: 2-chloranyl-4-[1-methoxy-2-oxidanylidene-2-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzoic acid Openeye Name: 2-chloro-4-[1-methoxy-2-oxo-2-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzoic acid CAS Name: 2-chloro-4-[1-methoxy-2-oxo-2-[1-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzoic acid IUPAC Name: 2-chloro-4-[1-methoxy-2-oxo-2-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzoic acid Traditional Name: 2-chloro-4-[2-keto-1-methoxy-2-[1-(pyrrolidinomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzoic acid Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC(=C(C=C1)C(=O)O)Cl)C(=O)N2CCC3=CC=CC=C3C2CN4CCCC4

Isomeric SMILES

COC(C1=CC(=C(C=C1)C(=O)O)Cl)C(=O)N2CCC3=CC=CC=C3C2CN4CCCC4

InChI

InChI=1S/C24H27ClN2O4/c1-31-22(17-8-9-19(24(29)30)20(25)14-17)23(28)27-13-10-16-6-2-3-7-18(16)21(27)15-26-11-4-5-12-26/h2-3,6-9,14,21-22H,4-5,10-13,15H2,1H3,(H,29,30)