1-oxidanylidene-4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-oxidanylidene-4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinoline-3-carboxylic acid Openeye Name: 1-oxo-4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinoline-3-carboxylic acid CAS Name: 1-oxo-4-phenyl-2-[2-(1-pyrrolidinyl)ethyl]-3-isoquinolinecarboxylic acid IUPAC Name: 1-oxo-4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinoline-3-carboxylic acid Traditional Name: 1-keto-4-phenyl-2-(2-pyrrolidinoethyl)isoquinoline-3-carboxylic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C(=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)CCN2C(=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H22N2O3/c25-21-18-11-5-4-10-17(18)19(16-8-2-1-3-9-16)20(22(26)27)24(21)15-14-23-12-6-7-13-23/h1-5,8-11H,6-7,12-15H2,(H,26,27)