7-[[3-(cyclohexylmethyl)phenyl]amino]-5-methyl-4-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 7-[[3-(cyclohexylmethyl)phenyl]amino]-5-methyl-4-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 4-anilino-7-[3-(cyclohexylmethyl)anilino]-5-methyl-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 4-anilino-7-[3-(cyclohexylmethyl)anilino]-5-methyl-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 4-anilino-7-[3-(cyclohexylmethyl)anilino]-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 4-anilino-7-[3-(cyclohexylmethyl)anilino]-5-methyl-spiro[phthalan-3,9'-xanthene]-1-one Formula: C40H36N2O3 MolecularWeight: 592.72544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1NC3=CC=CC=C3)C4(C5=CC=CC=C5OC6=CC=CC=C64)OC2=O)NC7=CC=CC(=C7)CC8CCCCC8

Isomeric SMILES

CC1=CC(=C2C(=C1NC3=CC=CC=C3)C4(C5=CC=CC=C5OC6=CC=CC=C64)OC2=O)NC7=CC=CC(=C7)CC8CCCCC8

InChI

InChI=1S/C40H36N2O3/c1-26-23-33(41-30-18-12-15-28(25-30)24-27-13-4-2-5-14-27)36-37(38(26)42-29-16-6-3-7-17-29)40(45-39(36)43)31-19-8-10-21-34(31)44-35-22-11-9-20-32(35)40/h3,6-12,15-23,25,27,41-42H,2,4-5,13-14,24H2,1H3