2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-methoxyphenyl)-4-methylidene-pentane-1,5-dione

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-methoxyphenyl)-4-methylidene-pentane-1,5-dione Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-methoxyphenyl)-4-methylene-pentane-1,5-dione CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-methoxyphenyl)-4-methylenepentane-1,5-dione IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-methoxyphenyl)-4-methylidenepentane-1,5-dione Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-methoxyphenyl)-4-methylene-pentane-1,5-dione Formula: C25H29Cl2NO4 MolecularWeight: 478.40806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OC)CN(CCCl)CCCl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OC)CN(CCCl)CCCl

InChI

InChI=1S/C25H29Cl2NO4/c1-18(24(29)19-4-8-22(31-2)9-5-19)16-21(17-28(14-12-26)15-13-27)25(30)20-6-10-23(32-3)11-7-20/h4-11,21H,1,12-17H2,2-3H3