methyl (3R,4R)-1-oxidanylidene-3-phenyl-2-propyl-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: methyl (3R,4R)-1-oxidanylidene-3-phenyl-2-propyl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: methyl (3R,4R)-1-oxo-3-phenyl-2-propyl-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4R)-1-oxo-3-phenyl-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-1-oxo-3-phenyl-2-propyl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4R)-1-keto-3-phenyl-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCCN1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c1-3-13-21-18(14-9-5-4-6-10-14)17(20(23)24-2)15-11-7-8-12-16(15)19(21)22/h4-12,17-18H,3,13H2,1-2H3/t17-,18+/m1/s1