3-[[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]phenyl]amino]-4-methoxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]phenyl]amino]-4-methoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]anilino]-4-methoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]anilino]-4-methoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]anilino]-4-methoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]anilino]-4-methoxy-cyclobut-3-ene-1,2-quinone Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC(=CC=C2)NC3=C(C(=O)C3=O)OC)NCCC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC(=CC=C2)NC3=C(C(=O)C3=O)OC)NCCC4CCCCC4

InChI

InChI=1S/C27H32N2O4/c1-32-22-13-11-19(12-14-22)23(28-16-15-18-7-4-3-5-8-18)20-9-6-10-21(17-20)29-24-25(30)26(31)27(24)33-2/h6,9-14,17-18,23,28-29H,3-5,7-8,15-16H2,1-2H3