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

Systemtic Name: 4-[(4-butylphenyl)amino]-5-methyl-7-(3-methylpiperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 4-(4-butylanilino)-5-methyl-7-(3-methyl-1-piperidyl)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 4-(4-butylanilino)-5-methyl-7-(3-methyl-1-piperidinyl)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 4-(4-butylanilino)-5-methyl-7-(3-methylpiperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 4-(4-butylanilino)-5-methyl-7-(3-methylpiperidino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C37H38N2O3 MolecularWeight: 558.70922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2C)N4CCCC(C4)C)C(=O)OC35C6=CC=CC=C6OC7=CC=CC=C57

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2C)N4CCCC(C4)C)C(=O)OC35C6=CC=CC=C6OC7=CC=CC=C57

InChI

InChI=1S/C37H38N2O3/c1-4-5-12-26-17-19-27(20-18-26)38-35-25(3)22-30(39-21-10-11-24(2)23-39)33-34(35)37(42-36(33)40)28-13-6-8-15-31(28)41-32-16-9-7-14-29(32)37/h6-9,13-20,22,24,38H,4-5,10-12,21,23H2,1-3H3