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

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-ethoxyphenyl)-4-methylidene-pentane-1,5-dione Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-ethoxyphenyl)-4-methylene-pentane-1,5-dione CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-ethoxyphenyl)-4-methylenepentane-1,5-dione IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-ethoxyphenyl)-4-methylidenepentane-1,5-dione Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylene-1,5-bis(p-phenetyl)pentane-1,5-dione Formula: C27H33Cl2NO4 MolecularWeight: 506.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCC)CN(CCCl)CCCl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCC)CN(CCCl)CCCl

InChI

InChI=1S/C27H33Cl2NO4/c1-4-33-24-10-6-21(7-11-24)26(31)20(3)18-23(19-30(16-14-28)17-15-29)27(32)22-8-12-25(13-9-22)34-5-2/h6-13,23H,3-5,14-19H2,1-2H3