ethyl (1R,3R)-3-(4-dimethylaminophenyl)-1-propan-2-yl-2,3-dihydroisoindole-1-carboxylate

Systemtic Name: ethyl (1R,3R)-3-(4-dimethylaminophenyl)-1-propan-2-yl-2,3-dihydroisoindole-1-carboxylate Openeye Name: ethyl (1R,3R)-3-(4-dimethylaminophenyl)-1-isopropyl-isoindoline-1-carboxylate CAS Name: (1R,3R)-3-(4-dimethylaminophenyl)-1-propan-2-yl-2,3-dihydroisoindole-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,3R)-3-(4-dimethylaminophenyl)-1-propan-2-yl-2,3-dihydroisoindole-1-carboxylate Traditional Name: (1R,3R)-3-(4-dimethylaminophenyl)-1-isopropyl-isoindoline-1-carboxylic acid ethyl ester Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CC=C2C(N1)C3=CC=C(C=C3)N(C)C)C(C)C

Isomeric SMILES

CCOC(=O)[C@]1(C2=CC=CC=C2[C@H](N1)C3=CC=C(C=C3)N(C)C)C(C)C

InChI

InChI=1S/C22H28N2O2/c1-6-26-21(25)22(15(2)3)19-10-8-7-9-18(19)20(23-22)16-11-13-17(14-12-16)24(4)5/h7-15,20,23H,6H2,1-5H3/t20-,22-/m1/s1