2-morpholin-4-ylethyl 1-chloranyl-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: 2-morpholin-4-ylethyl 1-chloranyl-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 2-morpholinoethyl 1-chloro-4-phenyl-isoquinoline-3-carboxylate CAS Name: 1-chloro-4-phenyl-3-isoquinolinecarboxylic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 1-chloro-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-chloro-4-phenyl-isoquinoline-3-carboxylic acid 2-morpholinoethyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC(=O)C2=C(C3=CC=CC=C3C(=N2)Cl)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCOC(=O)C2=C(C3=CC=CC=C3C(=N2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O3/c23-21-18-9-5-4-8-17(18)19(16-6-2-1-3-7-16)20(24-21)22(26)28-15-12-25-10-13-27-14-11-25/h1-9H,10-15H2