methyl 4-phenyl-1-pyrrolidin-1-yl-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-phenyl-1-pyrrolidin-1-yl-isoquinoline-3-carboxylate Openeye Name: methyl 4-phenyl-1-pyrrolidin-1-yl-isoquinoline-3-carboxylate CAS Name: 4-phenyl-1-(1-pyrrolidinyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-pyrrolidin-1-ylisoquinoline-3-carboxylate Traditional Name: 4-phenyl-1-pyrrolidino-isoquinoline-3-carboxylic acid methyl ester Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2C(=N1)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2C(=N1)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2/c1-25-21(24)19-18(15-9-3-2-4-10-15)16-11-5-6-12-17(16)20(22-19)23-13-7-8-14-23/h2-6,9-12H,7-8,13-14H2,1H3