5-methyl-7-[(6-methyl-3-propyl-heptyl)amino]-4-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 5-methyl-7-[(6-methyl-3-propyl-heptyl)amino]-4-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 4-anilino-5-methyl-7-[(6-methyl-3-propyl-heptyl)amino]spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 4-anilino-5-methyl-7-[(6-methyl-3-propylheptyl)amino]-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 4-anilino-5-methyl-7-[(6-methyl-3-propylheptyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 4-anilino-5-methyl-7-[(6-methyl-3-propyl-heptyl)amino]spiro[phthalan-3,9'-xanthene]-1-one Formula: C38H42N2O3 MolecularWeight: 574.75168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(C)C)CCNC1=C2C(=C(C(=C1)C)NC3=CC=CC=C3)C4(C5=CC=CC=C5OC6=CC=CC=C64)OC2=O

Isomeric SMILES

CCCC(CCC(C)C)CCNC1=C2C(=C(C(=C1)C)NC3=CC=CC=C3)C4(C5=CC=CC=C5OC6=CC=CC=C64)OC2=O

InChI

InChI=1S/C38H42N2O3/c1-5-13-27(21-20-25(2)3)22-23-39-31-24-26(4)36(40-28-14-7-6-8-15-28)35-34(31)37(41)43-38(35)29-16-9-11-18-32(29)42-33-19-12-10-17-30(33)38/h6-12,14-19,24-25,27,39-40H,5,13,20-23H2,1-4H3