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

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-bis(4-pentoxyphenyl)pentane-1,5-dione Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylene-1,5-bis(4-pentoxyphenyl)pentane-1,5-dione CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylene-1,5-bis(4-pentoxyphenyl)pentane-1,5-dione IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-bis(4-pentoxyphenyl)pentane-1,5-dione Traditional Name: 1,5-bis(4-amoxyphenyl)-2-[bis(2-chloroethyl)aminomethyl]-4-methylene-pentane-1,5-dione Formula: C33H45Cl2NO4 MolecularWeight: 590.6207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCCCC)CN(CCCl)CCCl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCCCC)CN(CCCl)CCCl

InChI

InChI=1S/C33H45Cl2NO4/c1-4-6-8-22-39-30-14-10-27(11-15-30)32(37)26(3)24-29(25-36(20-18-34)21-19-35)33(38)28-12-16-31(17-13-28)40-23-9-7-5-2/h10-17,29H,3-9,18-25H2,1-2H3