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

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidene-pentane-1,5-dione Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylene-pentane-1,5-dione CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylenepentane-1,5-dione IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylene-pentane-1,5-dione Formula: C31H41Cl2NO4 MolecularWeight: 562.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCCC)CN(CCCl)CCCl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCCC)CN(CCCl)CCCl

InChI

InChI=1S/C31H41Cl2NO4/c1-4-6-20-37-28-12-8-25(9-13-28)30(35)24(3)22-27(23-34(18-16-32)19-17-33)31(36)26-10-14-29(15-11-26)38-21-7-5-2/h8-15,27H,3-7,16-23H2,1-2H3