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

Systemtic Name: 5-methyl-7-[(3-pentylcyclohexyl)amino]-4-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 4-anilino-5-methyl-7-[(3-pentylcyclohexyl)amino]spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 4-anilino-5-methyl-7-[(3-pentylcyclohexyl)amino]-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 4-anilino-5-methyl-7-[(3-pentylcyclohexyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 7-[(3-amylcyclohexyl)amino]-4-anilino-5-methyl-spiro[phthalan-3,9'-xanthene]-1-one Formula: C38H40N2O3 MolecularWeight: 572.7358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC(C1)NC2=C3C(=C(C(=C2)C)NC4=CC=CC=C4)C5(C6=CC=CC=C6OC7=CC=CC=C75)OC3=O

Isomeric SMILES

CCCCCC1CCCC(C1)NC2=C3C(=C(C(=C2)C)NC4=CC=CC=C4)C5(C6=CC=CC=C6OC7=CC=CC=C75)OC3=O

InChI

InChI=1S/C38H40N2O3/c1-3-4-6-14-26-15-13-18-28(24-26)39-31-23-25(2)36(40-27-16-7-5-8-17-27)35-34(31)37(41)43-38(35)29-19-9-11-21-32(29)42-33-22-12-10-20-30(33)38/h5,7-12,16-17,19-23,26,28,39-40H,3-4,6,13-15,18,24H2,1-2H3