3-(3-chloranyl-4-methoxy-phenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one Openeye Name: 2-benzyl-3-(3-chloro-4-methoxy-phenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one IUPAC Name: 2-benzyl-3-(3-chloro-4-methoxyphenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Traditional Name: 2-benzyl-3-(3-chloro-4-methoxy-phenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Formula: C23H24ClNO2 MolecularWeight: 381.89516

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC=CC1C(N(C2=O)CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC12CCC=CC1C(N(C2=O)CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C23H24ClNO2/c1-23-13-7-6-10-18(23)21(17-11-12-20(27-2)19(24)14-17)25(22(23)26)15-16-8-4-3-5-9-16/h3-6,8-12,14,18,21H,7,13,15H2,1-2H3