3-(3-chloranyl-4-methoxy-phenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Openeye Name: 2-benzyl-3-(3-chloro-4-methoxy-phenyl)-7-phenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-benzyl-3-(3-chloro-4-methoxyphenyl)-7-phenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Traditional Name: 2-benzyl-3-(3-chloro-4-methoxy-phenyl)-7-phenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Formula: C28H26ClNO2 MolecularWeight: 443.96454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3C=CCC(C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3C=CCC(C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H26ClNO2/c1-32-25-16-15-21(17-24(25)29)27-23-14-8-13-22(20-11-6-3-7-12-20)26(23)28(31)30(27)18-19-9-4-2-5-10-19/h2-12,14-17,22-23,26-27H,13,18H2,1H3